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]+ 228.001856 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.