CID 5276266

(4-chlorophenyl) 1-phenyltriazole-4-carboxylate

Structural Information

Molecular Formula
C15H10ClN3O2
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)C(=O)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClN3O2/c16-11-6-8-13(9-7-11)21-15(20)14-10-19(18-17-14)12-4-2-1-3-5-12/h1-10H
InChIKey
GNKVQTBPRVXBDI-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 1-phenyltriazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.04614 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05342 164.8
[M+Na]+ 322.03536 174.5
[M-H]- 298.03886 170.9
[M+NH4]+ 317.07996 177.8
[M+K]+ 338.00930 168.8
[M+H-H2O]+ 282.04340 154.4
[M+HCOO]- 344.04434 181.6
[M+CH3COO]- 358.05999 176.4
[M+Na-2H]- 320.02081 168.7
[M]+ 299.04559 168.0
[M]- 299.04669 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.