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

7
Patents

256.0099 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 146.7
[M+Na]+ 278.99912 159.0
[M-H]- 255.00262 153.5
[M+NH4]+ 274.04372 168.0
[M+K]+ 294.97306 148.4
[M+H-H2O]+ 239.00716 146.9
[M+HCOO]- 301.00810 167.7
[M+CH3COO]- 315.02375 194.6
[M+Na-2H]- 276.98457 151.7
[M]+ 256.00935 168.3
[M]- 256.01045 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