CID 22186452

Heptafluoro-1-propanesulfinic acid

Structural Information

Molecular Formula
C3HF7O2S
SMILES
C(C(F)(F)F)(C(F)(F)S(=O)O)(F)F
InChI
InChI=1S/C3HF7O2S/c4-1(5,2(6,7)8)3(9,10)13(11)12/h(H,11,12)
InChIKey
XSCWUQGTFQIWOB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

233.95854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96582 132.8
[M+Na]+ 256.94776 141.7
[M-H]- 232.95126 123.4
[M+NH4]+ 251.99236 149.7
[M+K]+ 272.92170 139.4
[M+H-H2O]+ 216.95580 123.4
[M+HCOO]- 278.95674 138.3
[M+CH3COO]- 292.97239 184.1
[M+Na-2H]- 254.93321 135.0
[M]+ 233.95799 123.8
[M]- 233.95909 123.8
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

patents stripe