CID 130013822

234450-60-3

Structural Information

Molecular Formula

C₆H₅ClN₂O₂S

SMILES

CC(=O)NC1=NC(=C(S1)C=O)Cl

InChI

InChI=1S/C6H5ClN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11)

InChIKey

CQLVPZFIAQITTK-UHFFFAOYSA-N

Compound name

N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 203.97603 Da
Monoisotopic Mass: 1.2
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]+	204.98331	141.0
[M+Na]+	226.96525	151.6
[M+NH4]+	222.00985	148.7
[M+K]+	242.93919	146.2
[M-H]-	202.96875	141.4
[M+Na-2H]-	224.95070	144.8
[M]+	203.97548	143.1
[M]-	203.97658	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe