CID 89601

2-methoxy-5-sulfamoylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

231.02014 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02742 146.9
[M+Na]+ 254.00936 155.9
[M+NH4]+ 249.05396 152.4
[M+K]+ 269.98330 151.8
[M-H]- 230.01286 145.9
[M+Na-2H]- 251.99481 150.1
[M]+ 231.01959 148.0
[M]- 231.02069 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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