CID 9859771

Perfluoropropanesulfonic acid

Structural Information

Molecular Formula
C3HF7O3S
SMILES
C(C(F)(F)F)(C(F)(F)S(=O)(=O)O)(F)F
InChI
InChI=1S/C3HF7O3S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/h(H,11,12,13)
InChIKey
XBWQFDNGNOOMDZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4654
Patents

249.95346 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96074 136.1
[M+Na]+ 272.94268 145.6
[M-H]- 248.94618 126.9
[M+NH4]+ 267.98728 152.3
[M+K]+ 288.91662 143.2
[M+H-H2O]+ 232.95072 127.0
[M+HCOO]- 294.95166 141.5
[M+CH3COO]- 308.96731 185.0
[M+Na-2H]- 270.92813 140.7
[M]+ 249.95291 127.7
[M]- 249.95401 127.7
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