CID 924611

72225-18-4

Structural Information

Molecular Formula

C₁₀H₉ClN₂OS

SMILES

C1CSC(=N1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14)

InChIKey

BOQSUZFVLCCQFM-UHFFFAOYSA-N

Compound name

4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 240.0124 Da
Monoisotopic Mass: 2.2
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]+	241.019676	150.2
[M+Na]+	263.001618	158.9
[M-H]-	239.005124	156.1
[M+NH4]+	258.046223	169.5
[M+K]+	278.975558	154.1
[M+H-H2O]+	223.009660	144.0
[M+HCOO]-	285.010601	164.8
[M+CH3COO]-	299.026251	162.9
[M+Na-2H]-	260.987066	151.9
[M]+	240.01185142	151.8
[M]-	240.01294858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe