CID 9388

Perfluorooctanesulfonyl fluoride

Structural Information

Molecular Formula
C8F18O2S
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
InChIKey
BHFJBHMTEDLICO-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

1328
Patents

501.93317 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.94045 164.5
[M+Na]+ 524.92239 168.9
[M-H]- 500.92589 170.9
[M+NH4]+ 519.96699 174.4
[M+K]+ 540.89633 177.6
[M+H-H2O]+ 484.93043 153.4
[M+HCOO]- 546.93137 186.0
[M+CH3COO]- 560.94702 233.7
[M+Na-2H]- 522.90784 164.5
[M]+ 501.93262 166.0
[M]- 501.93372 166.0
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.