CID 66160453

2-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9BrClN
SMILES
C1=CC(=C(C=C1Cl)CCN)Br
InChI
InChI=1S/C8H9BrClN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3-4,11H2
InChIKey
RJCPZKOMNYTMSU-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

232.9607 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.967976 140.2
[M+Na]+ 255.949918 153.0
[M-H]- 231.953424 146.2
[M+NH4]+ 250.994523 162.4
[M+K]+ 271.923858 139.5
[M+H-H2O]+ 215.957960 141.0
[M+HCOO]- 277.958901 158.3
[M+CH3COO]- 291.974551 188.7
[M+Na-2H]- 253.935366 147.2
[M]+ 232.96015142 159.0
[M]- 232.96124858 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