CID 69680

4-bromo-2,6-dichloroaniline

Structural Information

Molecular Formula
C6H4BrCl2N
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)Br
InChI
InChI=1S/C6H4BrCl2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
NPQBZKNXJZARBJ-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

304
Patents

238.89043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.89771 135.6
[M+Na]+ 261.87965 150.6
[M-H]- 237.88315 141.5
[M+NH4]+ 256.92425 158.2
[M+K]+ 277.85359 136.1
[M+H-H2O]+ 221.88769 137.7
[M+HCOO]- 283.88863 149.5
[M+CH3COO]- 297.90428 188.6
[M+Na-2H]- 259.86510 142.4
[M]+ 238.88988 154.8
[M]- 238.89098 154.8
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

No patent data available for this compound.