CID 124191848

N,n-bis(4-bromophenyl)-4-fluoroaniline

Structural Information

Molecular Formula
C18H12Br2FN
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)F
InChI
InChI=1S/C18H12Br2FN/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
LQSPHAXAQUUQDE-UHFFFAOYSA-N
Compound name
N,N-bis(4-bromophenyl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

418.93204 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.93932 175.3
[M+Na]+ 441.92126 184.3
[M-H]- 417.92476 186.2
[M+NH4]+ 436.96586 190.2
[M+K]+ 457.89520 168.9
[M+H-H2O]+ 401.92930 180.9
[M+HCOO]- 463.93024 191.5
[M+CH3COO]- 477.94589 187.4
[M+Na-2H]- 439.90671 180.0
[M]+ 418.93149 207.8
[M]- 418.93259 207.8
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

patents stripe