CID 155970518

2639440-21-2

Structural Information

Molecular Formula
C7H5F3O2S
SMILES
C1=CC(=C(C=C1S(=O)O)F)C(F)F
InChI
InChI=1S/C7H5F3O2S/c8-6-3-4(13(11)12)1-2-5(6)7(9)10/h1-3,7H,(H,11,12)
InChIKey
XFYSBORSTTWJFV-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-3-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.99623 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00351 142.8
[M+Na]+ 232.98545 151.3
[M+NH4]+ 228.03005 148.5
[M+K]+ 248.95939 145.5
[M-H]- 208.98895 139.5
[M+Na-2H]- 230.97090 145.5
[M]+ 209.99568 143.1
[M]- 209.99678 143.1
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.