CID 16217851

3-bromo-n,n-diphenylaniline

Structural Information

Molecular Formula
C18H14BrN
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H14BrN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKey
YDXLVFKTOSKBKT-UHFFFAOYSA-N
Compound name
3-bromo-N,N-diphenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

323.03094 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03822 168.2
[M+Na]+ 346.02016 177.1
[M-H]- 322.02366 180.8
[M+NH4]+ 341.06476 185.5
[M+K]+ 361.99410 165.3
[M+H-H2O]+ 306.02820 165.8
[M+HCOO]- 368.02914 191.2
[M+CH3COO]- 382.04479 181.8
[M+Na-2H]- 344.00561 175.9
[M]+ 323.03039 185.4
[M]- 323.03149 185.4
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