CID 12267314

3-chloro-4,5-diphenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C14H10ClN3
SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)Cl
InChI
InChI=1S/C14H10ClN3/c15-14-17-16-13(11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H
InChIKey
ZLIFHMDKLFUZQJ-UHFFFAOYSA-N
Compound name
3-chloro-4,5-diphenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

255.05632 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06360 155.3
[M+Na]+ 278.04554 165.7
[M-H]- 254.04904 161.1
[M+NH4]+ 273.09014 170.3
[M+K]+ 294.01948 159.0
[M+H-H2O]+ 238.05358 145.0
[M+HCOO]- 300.05452 172.8
[M+CH3COO]- 314.07017 167.6
[M+Na-2H]- 276.03099 160.7
[M]+ 255.05577 156.7
[M]- 255.05687 156.7
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

patents stripe