CID 139595495

Perfluoro-3-(pentafluoro-lambda6-sulfanyl)-1-propanesulfonic acid

Structural Information

Molecular Formula
C3HF11O3S2
SMILES
C(C(F)(F)S(=O)(=O)O)(C(F)(F)S(F)(F)(F)(F)F)(F)F
InChI
InChI=1S/C3HF11O3S2/c4-1(5,2(6,7)18(15,16)17)3(8,9)19(10,11,12,13)14/h(H,15,16,17)
InChIKey
IWGBXUMIEVQVSE-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-3-(pentafluoro-lambda6-sulfanyl)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.91916 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.92644 146.4
[M+Na]+ 380.90838 155.8
[M-H]- 356.91188 132.4
[M+NH4]+ 375.95298 157.8
[M+K]+ 396.88232 151.0
[M+H-H2O]+ 340.91642 134.3
[M+HCOO]- 402.91736 141.7
[M+CH3COO]- 416.93301 203.2
[M+Na-2H]- 378.89383 146.8
[M]+ 357.91861 133.0
[M]- 357.91971 133.0
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.