CID 81807846

1554128-03-8

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CN(CC=C)S(=O)(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H13NO4S/c1-3-8-12(2)17(15,16)10-7-5-4-6-9(10)11(13)14/h3-7H,1,8H2,2H3,(H,13,14)
InChIKey
XJYGPHLKPVUZFM-UHFFFAOYSA-N
Compound name
2-[methyl(prop-2-enyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.063806 153.6
[M+Na]+ 278.045748 160.6
[M-H]- 254.049254 157.3
[M+NH4]+ 273.090353 170.4
[M+K]+ 294.019688 158.1
[M+H-H2O]+ 238.053790 147.3
[M+HCOO]- 300.054731 171.1
[M+CH3COO]- 314.070381 194.0
[M+Na-2H]- 276.031196 156.1
[M]+ 255.05598142 157.1
[M]- 255.05707858 157.1
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

No patent data available for this compound.