CID 2376812

18738-58-4

Structural Information

Molecular Formula

C₁₄H₁₃NO₅S

SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO5S/c1-20-12-6-4-11(5-7-12)15-21(18,19)13-8-2-10(3-9-13)14(16)17/h2-9,15H,1H3,(H,16,17)

InChIKey

LZKUCYPSKRMZOU-UHFFFAOYSA-N

Compound name

4-[(4-methoxyphenyl)sulfamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 307.05145 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.05873	166.2
[M+Na]+	330.04067	177.3
[M+NH4]+	325.08527	172.1
[M+K]+	346.01461	171.1
[M-H]-	306.04417	168.1
[M+Na-2H]-	328.02612	172.9
[M]+	307.05090	168.6
[M]-	307.05200	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe