CID 2512621

790271-03-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H11NO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h2-6,11H,1,7H2,(H,12,13)

InChIKey

NKCFJTWULJOLDV-UHFFFAOYSA-N

Compound name

4-(prop-2-enylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.04088 Da
Monoisotopic Mass: 1.1
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]+	242.04816	149.8
[M+Na]+	264.03010	157.0
[M-H]-	240.03360	152.2
[M+NH4]+	259.07470	166.5
[M+K]+	280.00404	153.3
[M+H-H2O]+	224.03814	143.8
[M+HCOO]-	286.03908	167.1
[M+CH3COO]-	300.05473	187.7
[M+Na-2H]-	262.01555	153.3
[M]+	241.04033	151.6
[M]-	241.04143	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe