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]+ 256.06381 155.6
[M+Na]+ 278.04575 164.6
[M+NH4]+ 273.09035 161.3
[M+K]+ 294.01969 159.3
[M-H]- 254.04925 155.1
[M+Na-2H]- 276.03120 159.4
[M]+ 255.05598 156.9
[M]- 255.05708 156.9
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.