CID 282322

52938-49-5

Structural Information

Molecular Formula

C₄H₅ClN₄O

SMILES

C1=NNC(=N1)NC(=O)CCl

InChI

InChI=1S/C4H5ClN4O/c5-1-3(10)8-4-6-2-7-9-4/h2H,1H2,(H2,6,7,8,9,10)

InChIKey

LJTMQKUBHSDQHW-UHFFFAOYSA-N

Compound name

2-chloro-N-(1H-1,2,4-triazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 160.01518 Da
Monoisotopic Mass: 0.1
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]+	161.02246	128.5
[M+Na]+	183.00440	138.8
[M+NH4]+	178.04900	135.0
[M+K]+	198.97834	136.1
[M-H]-	159.00790	127.1
[M+Na-2H]-	180.98985	133.5
[M]+	160.01463	129.3
[M]-	160.01573	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe