CID 2756906

2-bromo-1-(3,5-dichloro-2-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C9H7BrCl2O2
SMILES
COC1=C(C=C(C=C1Cl)Cl)C(=O)CBr
InChI
InChI=1S/C9H7BrCl2O2/c1-14-9-6(8(13)4-10)2-5(11)3-7(9)12/h2-3H,4H2,1H3
InChIKey
JLGKZBSXNAOYAG-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,5-dichloro-2-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

295.90063 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.90791 149.7
[M+Na]+ 318.88985 155.2
[M+NH4]+ 313.93445 154.9
[M+K]+ 334.86379 153.9
[M-H]- 294.89335 150.1
[M+Na-2H]- 316.87530 153.2
[M]+ 295.90008 150.0
[M]- 295.90118 150.0
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