CID 2756931

2-bromo-1-(2,6-dimethoxyphenyl)ethanone

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COC1=C(C(=CC=C1)OC)C(=O)CBr
InChI
InChI=1S/C10H11BrO3/c1-13-8-4-3-5-9(14-2)10(8)7(12)6-11/h3-5H,6H2,1-2H3
InChIKey
NCSDTJAJQKENMG-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,6-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

257.98917 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 145.8
[M+Na]+ 280.978388 157.5
[M-H]- 256.981894 152.4
[M+NH4]+ 276.022993 166.6
[M+K]+ 296.952328 147.7
[M+H-H2O]+ 240.986430 145.7
[M+HCOO]- 302.987371 167.3
[M+CH3COO]- 317.003021 192.5
[M+Na-2H]- 278.963836 151.9
[M]+ 257.98862142 168.1
[M]- 257.98971858 168.1
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