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

9
Patents

160.01518 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02246 129.1
[M+Na]+ 183.00440 137.8
[M-H]- 159.00790 127.3
[M+NH4]+ 178.04900 147.1
[M+K]+ 198.97834 134.7
[M+H-H2O]+ 143.01244 121.6
[M+HCOO]- 205.01338 146.2
[M+CH3COO]- 219.02903 172.0
[M+Na-2H]- 180.98985 135.5
[M]+ 160.01463 128.3
[M]- 160.01573 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