CID 288439

3-chloro-5,6-diphenyl-1,2,4-triazine

Structural Information

Molecular Formula
C15H10ClN3
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H10ClN3/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H
InChIKey
FMSREUKSXAZODB-UHFFFAOYSA-N
Compound name
3-chloro-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

75
Patents

267.05634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.063616 158.7
[M+Na]+ 290.045558 168.8
[M-H]- 266.049064 164.0
[M+NH4]+ 285.090163 171.2
[M+K]+ 306.019498 161.3
[M+H-H2O]+ 250.053600 147.8
[M+HCOO]- 312.054541 174.9
[M+CH3COO]- 326.070191 170.2
[M+Na-2H]- 288.031006 166.8
[M]+ 267.05579142 159.5
[M]- 267.05688858 159.5
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