CID 226485

2-bromo-1-(3,4-dimethoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C11H13BrO3
SMILES
CC(C(=O)C1=CC(=C(C=C1)OC)OC)Br
InChI
InChI=1S/C11H13BrO3/c1-7(12)11(13)8-4-5-9(14-2)10(6-8)15-3/h4-7H,1-3H3
InChIKey
DFIFMYKGEATZJD-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,4-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

272.00482 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01210 150.8
[M+Na]+ 294.99404 161.7
[M-H]- 270.99754 157.2
[M+NH4]+ 290.03864 170.9
[M+K]+ 310.96798 152.1
[M+H-H2O]+ 255.00208 150.5
[M+HCOO]- 317.00302 170.9
[M+CH3COO]- 331.01867 196.1
[M+Na-2H]- 292.97949 155.1
[M]+ 272.00427 172.8
[M]- 272.00537 172.8
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