CID 129831476

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,30-pentacontafluorotriacontane

Structural Information

Molecular Formula
C30H12F50
SMILES
C(CCCC(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)CCC(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
InChI
InChI=1S/C30H12F50/c31-7(32,9(35,36)11(39,40)13(43,44)15(47,48)17(51,52)19(55,56)21(59,60)23(63,64)25(67,68)27(71,72)29(75,76)77)5-3-1-2-4-6-8(33,34)10(37,38)12(41,42)14(45,46)16(49,50)18(53,54)20(57,58)22(61,62)24(65,66)26(69,70)28(73,74)30(78,79)80/h1-6H2
InChIKey
BWUCWZIHUKQYCT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,30-pentacontafluorotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1322.014 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1323.0213 297.0
[M+Na]+ 1345.0032 297.3
[M-H]- 1321.0067 307.7
[M+NH4]+ 1340.0478 304.5
[M+K]+ 1360.9772 308.6
[M+H-H2O]+ 1305.0113 289.0
[M+HCOO]- 1367.0122 304.3
[M+CH3COO]- 1381.0279 274.3
[M+Na-2H]- 1342.9887 299.9
[M]+ 1322.0135 285.1
[M]- 1322.0145 285.1
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

No patent data available for this compound.