CID 57872377

2,4,6-tris(3-bromophenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C21H12Br3N3
SMILES
C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
InChI
InChI=1S/C21H12Br3N3/c22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-12H
InChIKey
IWHHYACTSSPXDV-UHFFFAOYSA-N
Compound name
2,4,6-tris(3-bromophenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

542.85815 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.86543 176.8
[M+Na]+ 565.84737 171.5
[M+NH4]+ 560.89197 177.9
[M+K]+ 581.82131 178.3
[M-H]- 541.85087 180.1
[M+Na-2H]- 563.83282 179.3
[M]+ 542.85760 177.1
[M]- 542.85870 177.1
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