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

0
Patents

291.98083 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98811 159.0
[M+Na]+ 314.97005 169.7
[M+NH4]+ 310.01465 164.4
[M+K]+ 330.94399 164.7
[M-H]- 290.97355 157.4
[M+Na-2H]- 312.95550 162.4
[M]+ 291.98028 160.5
[M]- 291.98138 160.5
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.