CID 10611613

2-bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H8BrClO2
SMILES
COC1=C(C=C(C=C1)C(=O)CBr)Cl
InChI
InChI=1S/C9H8BrClO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4H,5H2,1H3
InChIKey
OIMMLGVIZOHKSH-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-chloro-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

261.9396 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94688 143.8
[M+Na]+ 284.92882 148.4
[M+NH4]+ 279.97342 148.9
[M+K]+ 300.90276 147.8
[M-H]- 260.93232 144.3
[M+Na-2H]- 282.91427 147.5
[M]+ 261.93905 143.7
[M]- 261.94015 143.7
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

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