CID 596718

Trifluoromethanesulfinic acid

Structural Information

Molecular Formula
CHF3O2S
SMILES
C(F)(F)(F)S(=O)O
InChI
InChI=1S/CHF3O2S/c2-1(3,4)7(5)6/h(H,5,6)
InChIKey
SFEBPWPPVGRFOA-UHFFFAOYSA-N
Compound name
trifluoromethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1997
Patents

133.96494 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.97222 114.9
[M+Na]+ 156.95416 124.0
[M-H]- 132.95766 110.8
[M+NH4]+ 151.99876 136.4
[M+K]+ 172.92810 123.0
[M+H-H2O]+ 116.96220 108.7
[M+HCOO]- 178.96314 128.2
[M+CH3COO]- 192.97879 165.2
[M+Na-2H]- 154.93961 118.3
[M]+ 133.96439 111.8
[M]- 133.96549 111.8
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