CID 611661

1-(3-bromo-4-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CC(=O)C1=CC(=C(C=C1)OC)Br
InChI
InChI=1S/C9H9BrO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChIKey
JYPGOBDETCKKKV-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

227.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 138.3
[M+Na]+ 250.96781 150.6
[M-H]- 226.97131 145.2
[M+NH4]+ 246.01241 160.4
[M+K]+ 266.94175 140.6
[M+H-H2O]+ 210.97585 138.8
[M+HCOO]- 272.97679 160.0
[M+CH3COO]- 286.99244 187.8
[M+Na-2H]- 248.95326 145.0
[M]+ 227.97804 159.0
[M]- 227.97914 159.0
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