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

86
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 168.2
[M+Na]+ 565.84737 174.6
[M-H]- 541.85087 176.3
[M+NH4]+ 560.89197 176.4
[M+K]+ 581.82131 161.1
[M+H-H2O]+ 525.85541 182.8
[M+HCOO]- 587.85635 176.5
[M+CH3COO]- 601.87200 177.2
[M+Na-2H]- 563.83282 172.8
[M]+ 542.85760 208.7
[M]- 542.85870 208.7
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