CID 27281662

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

Structural Information

Molecular Formula
C15H10BrN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Br)C3=CC=CC=C3
InChI
InChI=1S/C15H10BrN3/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
PTPGZCQGDXUUAH-UHFFFAOYSA-N
Compound name
2-bromo-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

311.0058 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01308 160.4
[M+Na]+ 333.99502 172.3
[M-H]- 309.99852 168.7
[M+NH4]+ 329.03962 174.6
[M+K]+ 349.96896 159.3
[M+H-H2O]+ 294.00306 157.4
[M+HCOO]- 356.00400 179.4
[M+CH3COO]- 370.01965 173.8
[M+Na-2H]- 331.98047 170.1
[M]+ 311.00525 178.1
[M]- 311.00635 178.1
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