CID 12802658

80998-67-0

Structural Information

Molecular Formula
C10H11NO6S
SMILES
COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N
InChI
InChI=1S/C10H11NO6S/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)18(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
InChIKey
KXOAIVMMWXYARA-UHFFFAOYSA-N
Compound name
dimethyl 2-sulfamoylbenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

273.0307 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.037976 155.1
[M+Na]+ 296.019918 162.9
[M-H]- 272.023424 158.7
[M+NH4]+ 291.064523 171.0
[M+K]+ 311.993858 161.6
[M+H-H2O]+ 256.027960 148.8
[M+HCOO]- 318.028901 172.6
[M+CH3COO]- 332.044551 194.9
[M+Na-2H]- 294.005366 156.9
[M]+ 273.03015142 160.2
[M]- 273.03124858 160.2
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