CID 282322

2-chloro-n-(1h-1,2,4-triazol-3-yl)acetamide

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

8
Patents

160.01518 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.022456 129.1
[M+Na]+ 183.004398 137.8
[M-H]- 159.007904 127.3
[M+NH4]+ 178.049003 147.1
[M+K]+ 198.978338 134.7
[M+H-H2O]+ 143.012440 121.6
[M+HCOO]- 205.013381 146.2
[M+CH3COO]- 219.029031 172.0
[M+Na-2H]- 180.989846 135.5
[M]+ 160.01463142 128.3
[M]- 160.01572858 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe