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

20
Patents

273.0307 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03798 155.1
[M+Na]+ 296.01992 162.9
[M-H]- 272.02342 158.7
[M+NH4]+ 291.06452 171.0
[M+K]+ 311.99386 161.6
[M+H-H2O]+ 256.02796 148.8
[M+HCOO]- 318.02890 172.6
[M+CH3COO]- 332.04455 194.9
[M+Na-2H]- 294.00537 156.9
[M]+ 273.03015 160.2
[M]- 273.03125 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