CID 361226

Nsc624183

Structural Information

Molecular Formula
C7H6Cl2O3S
SMILES
COC1=C(C=C(C=C1Cl)S(=O)O)Cl
InChI
InChI=1S/C7H6Cl2O3S/c1-12-7-5(8)2-4(13(10)11)3-6(7)9/h2-3H,1H3,(H,10,11)
InChIKey
GCLFUMGLMRPNIR-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-methoxybenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.94147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94875 138.4
[M+Na]+ 262.93069 149.5
[M-H]- 238.93419 141.7
[M+NH4]+ 257.97529 157.8
[M+K]+ 278.90463 144.7
[M+H-H2O]+ 222.93873 135.9
[M+HCOO]- 284.93967 147.2
[M+CH3COO]- 298.95532 184.7
[M+Na-2H]- 260.91614 140.1
[M]+ 239.94092 144.8
[M]- 239.94202 144.8
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.