CID 44138766

2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine

Structural Information

Molecular Formula
C21H13BrClN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H13BrClN3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H
InChIKey
BLKKWMCDZNDYEQ-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

420.99814 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.00542 188.5
[M+Na]+ 443.98736 201.1
[M-H]- 419.99086 199.1
[M+NH4]+ 439.03196 199.0
[M+K]+ 459.96130 185.6
[M+H-H2O]+ 403.99540 184.0
[M+HCOO]- 465.99634 201.8
[M+CH3COO]- 480.01199 200.0
[M+Na-2H]- 441.97281 195.0
[M]+ 420.99759 208.0
[M]- 420.99869 208.0
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

patents stripe