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]+ 270.01955 154.9
[M+Na]+ 292.00149 166.3
[M-H]- 268.00499 157.4
[M+NH4]+ 287.04609 170.4
[M+K]+ 307.97543 160.3
[M+H-H2O]+ 252.00953 146.6
[M+HCOO]- 314.01047 166.3
[M+CH3COO]- 328.02612 194.8
[M+Na-2H]- 289.98694 157.1
[M]+ 269.01172 159.1
[M]- 269.01282 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.