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]+ 212.958306 129.8
[M+Na]+ 234.940248 141.3
[M-H]- 210.943754 130.8
[M+NH4]+ 229.984853 149.8
[M+K]+ 250.914188 136.5
[M+H-H2O]+ 194.948290 124.5
[M+HCOO]- 256.949231 141.5
[M+CH3COO]- 270.964881 180.3
[M+Na-2H]- 232.925696 131.3
[M]+ 211.95048142 131.3
[M]- 211.95157858 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.