CID 10082478

1-(2-amino-5-bromophenyl)propan-1-one

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CCC(=O)C1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C9H10BrNO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChIKey
QGGYMYVVGFZOCT-UHFFFAOYSA-N
Compound name
1-(2-amino-5-bromophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

226.99458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 141.1
[M+Na]+ 249.983798 152.4
[M-H]- 225.987304 147.2
[M+NH4]+ 245.028403 162.5
[M+K]+ 265.957738 141.1
[M+H-H2O]+ 209.991840 140.8
[M+HCOO]- 271.992781 162.7
[M+CH3COO]- 286.008431 189.8
[M+Na-2H]- 247.969246 146.8
[M]+ 226.99403142 158.6
[M]- 226.99512858 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe