CID 361231

Nsc624188

Structural Information

Molecular Formula
C6H4Cl2O3S
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)S(=O)O
InChI
InChI=1S/C6H4Cl2O3S/c7-4-1-3(12(10)11)2-5(8)6(4)9/h1-2,9H,(H,10,11)
InChIKey
XNBXXDJLLSQLKA-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-hydroxybenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.92583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.93311 134.0
[M+Na]+ 248.91505 145.1
[M-H]- 224.91855 136.1
[M+NH4]+ 243.95965 153.3
[M+K]+ 264.88899 139.6
[M+H-H2O]+ 208.92309 132.1
[M+HCOO]- 270.92403 141.7
[M+CH3COO]- 284.93968 179.3
[M+Na-2H]- 246.90050 135.8
[M]+ 225.92528 138.3
[M]- 225.92638 138.3
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.