CID 98683

60965-26-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

553
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

literature stripe

Patent stripe

patents stripe