CID 15725275

136382-01-9

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC1=CC(=C(C(=C1)OC)C(=O)CBr)C
InChI
InChI=1S/C11H13BrO2/c1-7-4-8(2)11(9(13)6-12)10(5-7)14-3/h4-5H,6H2,1-3H3
InChIKey
CBXARLPEXZEGOM-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-methoxy-4,6-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

256.0099 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.017176 146.7
[M+Na]+ 278.999118 159.0
[M-H]- 255.002624 153.5
[M+NH4]+ 274.043723 168.0
[M+K]+ 294.973058 148.4
[M+H-H2O]+ 239.007160 146.9
[M+HCOO]- 301.008101 167.7
[M+CH3COO]- 315.023751 194.6
[M+Na-2H]- 276.984566 151.7
[M]+ 256.00935142 168.3
[M]- 256.01044858 168.3
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

patents stripe