CID 75176214

1-{1-[(2,4-dichlorophenyl)methyl]-1h-1,2,3-triazol-4-yl}ethan-1-one

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]+ 270.019546 154.9
[M+Na]+ 292.001488 166.3
[M-H]- 268.004994 157.4
[M+NH4]+ 287.046093 170.4
[M+K]+ 307.975428 160.3
[M+H-H2O]+ 252.009530 146.6
[M+HCOO]- 314.010471 166.3
[M+CH3COO]- 328.026121 194.8
[M+Na-2H]- 289.986936 157.1
[M]+ 269.01172142 159.1
[M]- 269.01281858 159.1
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.