CID 6483854

2-(4-sulfamoylphenyl)acetic acid

Structural Information

Molecular Formula
C8H9NO4S
SMILES
C1=CC(=CC=C1CC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C8H9NO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKey
ONVURFJRZJXWDD-UHFFFAOYSA-N
Compound name
2-(4-sulfamoylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

124
Patents

215.02522 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 142.3
[M+Na]+ 238.01444 150.2
[M-H]- 214.01794 144.5
[M+NH4]+ 233.05904 159.9
[M+K]+ 253.98838 147.1
[M+H-H2O]+ 198.02248 136.7
[M+HCOO]- 260.02342 159.5
[M+CH3COO]- 274.03907 181.9
[M+Na-2H]- 235.99989 145.8
[M]+ 215.02467 143.1
[M]- 215.02577 143.1
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