CID 6481675

1-(4-chlorophenyl)-2-(triazol-2-yl)ethanone

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
C1=CC(=CC=C1C(=O)CN2N=CC=N2)Cl
InChI
InChI=1S/C10H8ClN3O/c11-9-3-1-8(2-4-9)10(15)7-14-12-5-6-13-14/h1-6H,7H2
InChIKey
ZTNZQAOXKCIMOF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(triazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.03558 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 144.6
[M+Na]+ 244.02480 154.4
[M-H]- 220.02830 147.4
[M+NH4]+ 239.06940 161.2
[M+K]+ 259.99874 149.9
[M+H-H2O]+ 204.03284 135.8
[M+HCOO]- 266.03378 161.7
[M+CH3COO]- 280.04943 157.3
[M+Na-2H]- 242.01025 149.7
[M]+ 221.03503 146.9
[M]- 221.03613 146.9
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.