CID 82391290

1-amino-3-(4-bromophenyl)propan-2-one hydrochloride

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1=CC(=CC=C1CC(=O)CN)Br
InChI
InChI=1S/C9H10BrNO/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4H,5-6,11H2
InChIKey
LLNUXEQYIBSHQJ-UHFFFAOYSA-N
Compound name
1-amino-3-(4-bromophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.6
[M+Na]+ 249.98380 143.2
[M+NH4]+ 245.02840 145.4
[M+K]+ 265.95774 143.2
[M-H]- 225.98730 141.5
[M+Na-2H]- 247.96925 144.1
[M]+ 226.99403 139.9
[M]- 226.99513 139.9
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.