CID 2492699

4-methoxy-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C8H9NO5S
SMILES
COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C8H9NO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKey
CKCJWLSXMXMIQO-UHFFFAOYSA-N
Compound name
4-methoxy-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

231.02014 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02742 144.7
[M+Na]+ 254.00936 153.1
[M-H]- 230.01286 147.1
[M+NH4]+ 249.05396 161.7
[M+K]+ 269.98330 150.7
[M+H-H2O]+ 214.01740 139.0
[M+HCOO]- 276.01834 161.9
[M+CH3COO]- 290.03399 185.5
[M+Na-2H]- 251.99481 147.7
[M]+ 231.01959 147.3
[M]- 231.02069 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe