CID 15111449

138099-41-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C10H11NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h1,3-4,7H,2,5-6H2,(H,12,13)

InChIKey

ULALUMQLLYCRCB-UHFFFAOYSA-N

Compound name

3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 241.04088 Da
Monoisotopic Mass: 0.7
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]+	242.048156	148.9
[M+Na]+	264.030098	157.9
[M-H]-	240.033604	153.7
[M+NH4]+	259.074703	168.6
[M+K]+	280.004038	154.9
[M+H-H2O]+	224.038140	143.5
[M+HCOO]-	286.039081	165.1
[M+CH3COO]-	300.054731	183.1
[M+Na-2H]-	262.015546	150.4
[M]+	241.04033142	149.9
[M]-	241.04142858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe