CID 4621665

72698-83-0

Structural Information

Molecular Formula
C10H10Br2O3
SMILES
COC1=CC(=C(C=C1)C(=O)C(Br)Br)OC
InChI
InChI=1S/C10H10Br2O3/c1-14-6-3-4-7(8(5-6)15-2)9(13)10(11)12/h3-5,10H,1-2H3
InChIKey
LANYSSCRMYWNKW-UHFFFAOYSA-N
Compound name
2,2-dibromo-1-(2,4-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.89966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.90694 148.7
[M+Na]+ 358.88888 158.8
[M-H]- 334.89238 155.4
[M+NH4]+ 353.93348 166.6
[M+K]+ 374.86282 144.5
[M+H-H2O]+ 318.89692 156.2
[M+HCOO]- 380.89786 163.9
[M+CH3COO]- 394.91351 209.1
[M+Na-2H]- 356.87433 153.5
[M]+ 335.89911 184.9
[M]- 335.90021 184.9
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

No patent data available for this compound.