CID 2827731

69570-82-7

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂S

SMILES

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

InChI

InChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)

InChIKey

GPKWJQGAXZSDCF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	148.4
[M+Na]+	250.03085	157.8
[M+NH4]+	245.07545	155.6
[M+K]+	266.00479	152.7
[M-H]-	226.03435	148.6
[M+Na-2H]-	248.01630	152.3
[M]+	227.04108	149.9
[M]-	227.04218	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe