CID 21678929

2-bromotriphenylamine

Structural Information

Molecular Formula
C18H14BrN
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3Br
InChI
InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKey
YPIANBZIVBPMJS-UHFFFAOYSA-N
Compound name
2-bromo-N,N-diphenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.