CID 3035936

Perfluoro(pentadecaoxypropylene)oxyethylene

Structural Information

Molecular Formula
C47HF95O15
SMILES
C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(OOOOOOOOOOOOOOO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C47HF95O15/c48-1(49,2(50,51)4(54,55)6(58,59)8(62,63)10(66,67)12(70,71)14(74,75)16(78,79)18(82,83)20(86,87)22(90,91)24(94,95)26(98,99)28(102,103)30(106,107)32(110,111)34(114,115)36(118,119)38(122,123)40(126,127)42(130,131)44(134,135)46(138,139)140)3(52,53)5(56,57)7(60,61)9(64,65)11(68,69)13(72,73)15(76,77)17(80,81)19(84,85)21(88,89)23(92,93)25(96,97)27(100,101)29(104,105)31(108,109)33(112,113)35(116,117)37(120,121)39(124,125)41(128,129)43(132,133)45(136,137)47(141,142)144-146-148-150-152-154-156-157-155-153-151-149-147-145-143/h143H
InChIKey
RIRVFUKJSNBDFN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,43,44,44,45,45,46,46,47,47-pentanonacontafluoro-47-(trioxidanylperoxyperoxyperoxyperoxyperoxyperoxy)heptatetracontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

2609.7798 Da
Monoisotopic Mass

32.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2610.7871 381.3
[M+Na]+ 2632.7690 381.3
[M-H]- 2608.7725 382.9
[M+NH4]+ 2627.8136 381.3
[M+K]+ 2648.7430 381.1
[M+H-H2O]+ 2592.7771 380.6
[M+HCOO]- 2654.7780 380.9
[M+CH3COO]- 2668.7937 254.6
[M+Na-2H]- 2630.7545 311.3
[M]+ 2609.7793 376.7
[M]- 2609.7803 376.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe