CID 257468

3-[(prop-2-en-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H11NO4S/c1-2-6-11-16(14,15)9-5-3-4-8(7-9)10(12)13/h2-5,7,11H,1,6H2,(H,12,13)
InChIKey
CBBMWYALVWTFIS-UHFFFAOYSA-N
Compound name
3-(prop-2-enylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.04088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.048156 149.8
[M+Na]+ 264.030098 157.0
[M-H]- 240.033604 152.2
[M+NH4]+ 259.074703 166.5
[M+K]+ 280.004038 153.3
[M+H-H2O]+ 224.038140 143.8
[M+HCOO]- 286.039081 167.1
[M+CH3COO]- 300.054731 187.7
[M+Na-2H]- 262.015546 153.3
[M]+ 241.04033142 151.6
[M]- 241.04142858 151.6
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