CID 162345610

Ns00133316

Structural Information

Molecular Formula
C12H8BrCl2N
SMILES
C1=CC(=C(C(=C1)Cl)NC2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C12H8BrCl2N/c13-8-4-6-9(7-5-8)16-12-10(14)2-1-3-11(12)15/h1-7,16H
InChIKey
XDZZRRHFVLRSAQ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2,6-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.92172 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.928996 156.2
[M+Na]+ 337.910938 170.0
[M-H]- 313.914444 164.9
[M+NH4]+ 332.955543 175.9
[M+K]+ 353.884878 154.8
[M+H-H2O]+ 297.918980 156.8
[M+HCOO]- 359.919921 170.2
[M+CH3COO]- 373.935571 170.8
[M+Na-2H]- 335.896386 163.2
[M]+ 314.92117142 176.7
[M]- 314.92226858 176.7
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.