CID 43140343

1,2-dimethyl 4-(chlorosulfonyl)benzene-1,2-dicarboxylate

Structural Information

Molecular Formula
C10H9ClO6S
SMILES
COC(=O)C1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C10H9ClO6S/c1-16-9(12)7-4-3-6(18(11,14)15)5-8(7)10(13)17-2/h3-5H,1-2H3
InChIKey
DKZHLDLGTSWJGB-UHFFFAOYSA-N
Compound name
dimethyl 4-chlorosulfonylbenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.98083 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.988106 153.9
[M+Na]+ 314.970048 163.5
[M-H]- 290.973554 158.7
[M+NH4]+ 310.014653 170.9
[M+K]+ 330.943988 161.0
[M+H-H2O]+ 274.978090 149.5
[M+HCOO]- 336.979031 167.0
[M+CH3COO]- 350.994681 194.0
[M+Na-2H]- 312.955496 156.3
[M]+ 291.98028142 163.1
[M]- 291.98137858 163.1
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

patents stripe