CID 66887905

3-methoxy-4-sulfamoylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

231.02014 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.027416 144.7
[M+Na]+ 254.009358 153.1
[M-H]- 230.012864 147.1
[M+NH4]+ 249.053963 161.7
[M+K]+ 269.983298 150.7
[M+H-H2O]+ 214.017400 139.0
[M+HCOO]- 276.018341 161.9
[M+CH3COO]- 290.033991 185.5
[M+Na-2H]- 251.994806 147.7
[M]+ 231.01959142 147.3
[M]- 231.02068858 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

No literature data available for this compound.

Patent stripe

patents stripe