CID 108528

60980-82-7

Structural Information

Molecular Formula

C₉H₁₀ClNS

SMILES

C1CSC(N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C9H10ClNS/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9,11H,4-5H2

InChIKey

VLJRCRMLQIRLLA-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 199.02225 Da
Monoisotopic Mass: 2.0
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]+	200.02953	140.1
[M+Na]+	222.01147	148.7
[M-H]-	198.01497	144.3
[M+NH4]+	217.05607	160.7
[M+K]+	237.98541	143.3
[M+H-H2O]+	182.01951	134.7
[M+HCOO]-	244.02045	151.7
[M+CH3COO]-	258.03610	152.8
[M+Na-2H]-	219.99692	141.3
[M]+	199.02170	138.7
[M]-	199.02280	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe