CID 11971471

5,6-bis(4-chlorophenyl)-1,2,4-triazine

Structural Information

Molecular Formula
C15H9Cl2N3
SMILES
C1=CC(=CC=C1C2=C(N=NC=N2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2N3/c16-12-5-1-10(2-6-12)14-15(20-19-9-18-14)11-3-7-13(17)8-4-11/h1-9H
InChIKey
GWFIKLZTSARYLP-UHFFFAOYSA-N
Compound name
5,6-bis(4-chlorophenyl)-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.01736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02464 164.0
[M+Na]+ 324.00658 175.1
[M-H]- 300.01008 168.7
[M+NH4]+ 319.05118 175.9
[M+K]+ 339.98052 166.9
[M+H-H2O]+ 284.01462 153.4
[M+HCOO]- 346.01556 174.9
[M+CH3COO]- 360.03121 174.9
[M+Na-2H]- 321.99203 170.4
[M]+ 301.01681 166.4
[M]- 301.01791 166.4
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.