CID 19698

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7565
Patents

267.05634 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06362 158.7
[M+Na]+ 290.04556 168.8
[M-H]- 266.04906 164.0
[M+NH4]+ 285.09016 171.2
[M+K]+ 306.01950 161.3
[M+H-H2O]+ 250.05360 147.8
[M+HCOO]- 312.05454 174.9
[M+CH3COO]- 326.07019 170.2
[M+Na-2H]- 288.03101 166.8
[M]+ 267.05579 159.5
[M]- 267.05689 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