CID 112756599

2-chloro-1-(1-methyl-1h-1,2,3-triazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C5H6ClN3O
SMILES
CN1C(=CN=N1)C(=O)CCl
InChI
InChI=1S/C5H6ClN3O/c1-9-4(3-7-8-9)5(10)2-6/h3H,2H2,1H3
InChIKey
DTCNAIQXMMRRQP-UHFFFAOYSA-N
Compound name
2-chloro-1-(3-methyltriazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.01994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02722 128.8
[M+Na]+ 182.00916 141.2
[M+NH4]+ 177.05376 136.0
[M+K]+ 197.98310 137.6
[M-H]- 158.01266 127.8
[M+Na-2H]- 179.99461 134.2
[M]+ 159.01939 130.3
[M]- 159.02049 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.