CID 629950

Bis(4-bromophenyl)amine

Structural Information

Molecular Formula
C12H9Br2N
SMILES
C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C12H9Br2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H
InChIKey
VKVHTZNHLOGHGP-UHFFFAOYSA-N
Compound name
4-bromo-N-(4-bromophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

708
Patents

324.91016 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.91744 149.3
[M+Na]+ 347.89938 159.2
[M-H]- 323.90288 158.3
[M+NH4]+ 342.94398 167.1
[M+K]+ 363.87332 143.3
[M+H-H2O]+ 307.90742 156.5
[M+HCOO]- 369.90836 166.8
[M+CH3COO]- 383.92401 163.0
[M+Na-2H]- 345.88483 157.1
[M]+ 324.90961 182.0
[M]- 324.91071 182.0
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