CID 2555975

793690-07-0

Structural Information

Molecular Formula
C13H13NO5S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)O
InChI
InChI=1S/C13H13NO5S/c1-9-4-5-11(7-12(9)13(15)16)20(17,18)14-8-10-3-2-6-19-10/h2-7,14H,8H2,1H3,(H,15,16)
InChIKey
KFEKRAITVQJBTK-UHFFFAOYSA-N
Compound name
5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.05145 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05873 164.8
[M+Na]+ 318.04067 174.5
[M+NH4]+ 313.08527 170.5
[M+K]+ 334.01461 171.1
[M-H]- 294.04417 167.1
[M+Na-2H]- 316.02612 169.3
[M]+ 295.05090 167.0
[M]- 295.05200 167.0
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

No patent data available for this compound.