CID 496375

333408-47-2

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂S

SMILES

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

InChI

InChI=1S/C10H10FNO2S/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

ZCIDMBKXEBMSLH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 227.04163 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]+	228.04891	146.4
[M+Na]+	250.03085	153.9
[M-H]-	226.03435	148.1
[M+NH4]+	245.07545	164.1
[M+K]+	266.00479	149.4
[M+H-H2O]+	210.03889	139.6
[M+HCOO]-	272.03983	159.2
[M+CH3COO]-	286.05548	180.9
[M+Na-2H]-	248.01630	145.1
[M]+	227.04108	142.6
[M]-	227.04218	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe