CID 121552354

2-chloro-1-(2-ethyl-2h-1,2,3-triazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C6H8ClN3O
SMILES
CCN1N=CC(=N1)C(=O)CCl
InChI
InChI=1S/C6H8ClN3O/c1-2-10-8-4-5(9-10)6(11)3-7/h4H,2-3H2,1H3
InChIKey
KVYAYGLQZJMFCX-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-ethyltriazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.03558 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04286 133.3
[M+Na]+ 196.02480 145.4
[M+NH4]+ 191.06940 140.3
[M+K]+ 211.99874 141.7
[M-H]- 172.02830 132.3
[M+Na-2H]- 194.01025 138.4
[M]+ 173.03503 134.7
[M]- 173.03613 134.7
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

No patent data available for this compound.