CID 80502740

2-amino-1-(3-bromo-4-methylphenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC1=C(C=C(C=C1)C(=O)CN)Br
InChI
InChI=1S/C9H10BrNO/c1-6-2-3-7(4-8(6)10)9(12)5-11/h2-4H,5,11H2,1H3
InChIKey
CMNRBPBFZSZZMO-UHFFFAOYSA-N
Compound name
2-amino-1-(3-bromo-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 141.1
[M+Na]+ 249.98380 152.4
[M-H]- 225.98730 147.2
[M+NH4]+ 245.02840 162.5
[M+K]+ 265.95774 141.1
[M+H-H2O]+ 209.99184 140.8
[M+HCOO]- 271.99278 162.7
[M+CH3COO]- 286.00843 189.8
[M+Na-2H]- 247.96925 146.8
[M]+ 226.99403 158.6
[M]- 226.99513 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.