CID 2787214

2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂S

SMILES

C1C(NC(S1)C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C10H10BrNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)

InChIKey

LZVZEQCJORCGOK-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 286.96155 Da
Monoisotopic Mass: -0.1
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]+	287.96883	149.6
[M+Na]+	309.95077	160.5
[M-H]-	285.95427	155.4
[M+NH4]+	304.99537	168.9
[M+K]+	325.92471	148.0
[M+H-H2O]+	269.95881	150.2
[M+HCOO]-	331.95975	161.9
[M+CH3COO]-	345.97540	188.4
[M+Na-2H]-	307.93622	150.9
[M]+	286.96100	165.8
[M]-	286.96210	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe