CID 44147506

93776-05-7

Structural Information

Molecular Formula
C30H24F38O5
SMILES
CC(COCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)OC(C)COCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C30H24F38O5/c1-9(5-71-7-11(69)3-13(31,32)17(37,38)21(45,46)25(53,54)23(49,50)19(41,42)15(35,27(57,58)59)28(60,61)62)73-10(2)6-72-8-12(70)4-14(33,34)18(39,40)22(47,48)26(55,56)24(51,52)20(43,44)16(36,29(63,64)65)30(66,67)68/h9-12,69-70H,3-8H2,1-2H3
InChIKey
QIWKDYIRAPMRPM-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-[2-[1-[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecoxy]propan-2-yloxy]propoxy]-10-(trifluoromethyl)undecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1186.1017 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1187.1090 283.8
[M+Na]+ 1209.0909 283.3
[M-H]- 1185.0944 297.8
[M+NH4]+ 1204.1355 296.2
[M+K]+ 1225.0649 300.3
[M+H-H2O]+ 1169.0990 271.2
[M+HCOO]- 1231.0999 288.6
[M+CH3COO]- 1245.1156 285.9
[M+Na-2H]- 1207.0764 283.0
[M]+ 1186.1012 278.8
[M]- 1186.1022 278.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.