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]+ 253.91335 140.2
[M+Na]+ 275.89529 154.8
[M-H]- 251.89879 146.0
[M+NH4]+ 270.93989 162.3
[M+K]+ 291.86923 140.1
[M+H-H2O]+ 235.90333 142.1
[M+HCOO]- 297.90427 153.8
[M+CH3COO]- 311.91992 191.3
[M+Na-2H]- 273.88074 146.5
[M]+ 252.90552 159.8
[M]- 252.90662 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.