CID 75176214

1443291-27-7

Structural Information

Molecular Formula
C11H9Cl2N3O
SMILES
CC(=O)C1=CN(N=N1)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2N3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6H,5H2,1H3
InChIKey
HIIOHIKACGGSTH-UHFFFAOYSA-N
Compound name
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.01227 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01955 155.3
[M+Na]+ 292.00149 170.7
[M+NH4]+ 287.04609 162.9
[M+K]+ 307.97543 164.9
[M-H]- 268.00499 157.0
[M+Na-2H]- 289.98694 162.8
[M]+ 269.01172 158.5
[M]- 269.01282 158.5
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.