CID 14369715

2-bromo-6-chloro-n-phenylaniline

Structural Information

Molecular Formula
C12H9BrClN
SMILES
C1=CC=C(C=C1)NC2=C(C=CC=C2Br)Cl
InChI
InChI=1S/C12H9BrClN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKey
JFCSJFULARWPIQ-UHFFFAOYSA-N
Compound name
2-bromo-6-chloro-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

280.9607 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.96798 151.4
[M+Na]+ 303.94992 163.7
[M-H]- 279.95342 160.6
[M+NH4]+ 298.99452 171.7
[M+K]+ 319.92386 149.8
[M+H-H2O]+ 263.95796 151.3
[M+HCOO]- 325.95890 170.3
[M+CH3COO]- 339.97455 166.3
[M+Na-2H]- 301.93537 159.7
[M]+ 280.96015 170.5
[M]- 280.96125 170.5
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