CID 83715548

2-(4-bromo-3-chlorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9BrClN
SMILES
C1=CC(=C(C=C1CCN)Cl)Br
InChI
InChI=1S/C8H9BrClN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKey
PZUNBCNQSGQENT-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.9607 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96798 140.2
[M+Na]+ 255.94992 153.0
[M-H]- 231.95342 146.2
[M+NH4]+ 250.99452 162.4
[M+K]+ 271.92386 139.5
[M+H-H2O]+ 215.95796 141.0
[M+HCOO]- 277.95890 158.3
[M+CH3COO]- 291.97455 188.7
[M+Na-2H]- 253.93537 147.2
[M]+ 232.96015 159.0
[M]- 232.96125 159.0
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