CID 13594707

4,4'-dibromotriphenylamine

Structural Information

Molecular Formula
C18H13Br2N
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey
KIGVOJUDEQXKII-UHFFFAOYSA-N
Compound name
4-bromo-N-(4-bromophenyl)-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

772
Patents

400.94147 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.94875 170.5
[M+Na]+ 423.93069 178.8
[M-H]- 399.93419 182.2
[M+NH4]+ 418.97529 185.9
[M+K]+ 439.90463 163.9
[M+H-H2O]+ 383.93873 176.9
[M+HCOO]- 445.93967 187.6
[M+CH3COO]- 459.95532 182.9
[M+Na-2H]- 421.91614 176.6
[M]+ 400.94092 203.5
[M]- 400.94202 203.5
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