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
5
Annotation Hits

36
References

1217
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 161.4
[M+Na]+ 524.92239 161.5
[M+NH4]+ 519.96699 161.3
[M+K]+ 540.89633 161.9
[M-H]- 500.92589 160.4
[M+Na-2H]- 522.90784 161.8
[M]+ 501.93262 161.1
[M]- 501.93372 161.1
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

patents stripe