CID 137935820

2253629-97-7

Structural Information

Molecular Formula
C6H3ClF2O2S
SMILES
C1=CC(=C(C(=C1S(=O)O)F)F)Cl
InChI
InChI=1S/C6H3ClF2O2S/c7-3-1-2-4(12(10)11)6(9)5(3)8/h1-2H,(H,10,11)
InChIKey
SLTJDVUTXGRGRV-UHFFFAOYSA-N
Compound name
4-chloro-2,3-difluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95103 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95831 129.8
[M+Na]+ 234.94025 141.3
[M-H]- 210.94375 130.8
[M+NH4]+ 229.98485 149.8
[M+K]+ 250.91419 136.5
[M+H-H2O]+ 194.94829 124.5
[M+HCOO]- 256.94923 141.5
[M+CH3COO]- 270.96488 180.3
[M+Na-2H]- 232.92570 131.3
[M]+ 211.95048 131.3
[M]- 211.95158 131.3
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.