CID 3070917

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

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC(C(=O)C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C9H10BrNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6H,11H2,1H3
InChIKey
QYLHFDPIVWASPH-UHFFFAOYSA-N
Compound name
2-amino-1-(4-bromophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

226.99458 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 142.4
[M+Na]+ 249.983798 152.5
[M-H]- 225.987304 148.2
[M+NH4]+ 245.028403 163.4
[M+K]+ 265.957738 141.6
[M+H-H2O]+ 209.991840 141.9
[M+HCOO]- 271.992781 163.0
[M+CH3COO]- 286.008431 189.5
[M+Na-2H]- 247.969246 147.4
[M]+ 226.99403142 158.8
[M]- 226.99512858 158.8
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

patents stripe