CID 258027

Tris(4-bromophenyl)amine

Structural Information

Molecular Formula
C18H12Br3N
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
ZRXVCYGHAUGABY-UHFFFAOYSA-N
Compound name
4-bromo-N,N-bis(4-bromophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

1460
Patents

478.852 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.859276 169.3
[M+Na]+ 501.841218 175.0
[M-H]- 477.844724 178.2
[M+NH4]+ 496.885823 181.0
[M+K]+ 517.815158 161.0
[M+H-H2O]+ 461.849260 183.2
[M+HCOO]- 523.850201 179.9
[M+CH3COO]- 537.865851 178.8
[M+Na-2H]- 499.826666 172.9
[M]+ 478.85145142 209.5
[M]- 478.85254858 209.5
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