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

18
Patents

241.04088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 151.8
[M+Na]+ 264.03010 160.9
[M+NH4]+ 259.07470 157.4
[M+K]+ 280.00404 155.2
[M-H]- 240.03360 151.1
[M+Na-2H]- 262.01555 155.6
[M]+ 241.04033 153.0
[M]- 241.04143 153.0
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