CID 165984702

1-(4-bromo-3,5-dichlorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H6BrCl2N
SMILES
C1=C(C=C(C(=C1Cl)Br)Cl)CN
InChI
InChI=1S/C7H6BrCl2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H,3,11H2
InChIKey
XYNNLYOSDLVXIW-UHFFFAOYSA-N
Compound name
(4-bromo-3,5-dichlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.90607 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.913346 140.2
[M+Na]+ 275.895288 154.8
[M-H]- 251.898794 146.0
[M+NH4]+ 270.939893 162.3
[M+K]+ 291.869228 140.1
[M+H-H2O]+ 235.903330 142.1
[M+HCOO]- 297.904271 153.8
[M+CH3COO]- 311.919921 191.3
[M+Na-2H]- 273.880736 146.5
[M]+ 252.90552142 159.8
[M]- 252.90661858 159.8
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.