CID 21849820

2-(2-sulfamoylphenyl)propanoic acid

Structural Information

Molecular Formula
C9H11NO4S
SMILES
CC(C1=CC=CC=C1S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C9H11NO4S/c1-6(9(11)12)7-4-2-3-5-8(7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)
InChIKey
FBPDAELXSKOZAD-UHFFFAOYSA-N
Compound name
2-(2-sulfamoylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.04088 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.048156 146.5
[M+Na]+ 252.030098 153.6
[M-H]- 228.033604 148.6
[M+NH4]+ 247.074703 163.4
[M+K]+ 268.004038 150.9
[M+H-H2O]+ 212.038140 140.8
[M+HCOO]- 274.039081 162.3
[M+CH3COO]- 288.054731 185.9
[M+Na-2H]- 250.015546 148.4
[M]+ 229.04033142 147.1
[M]- 229.04142858 147.1
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