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 143.1
[M+Na]+ 284.92882 156.4
[M-H]- 260.93232 149.8
[M+NH4]+ 279.97342 164.8
[M+K]+ 300.90276 144.2
[M+H-H2O]+ 244.93686 144.3
[M+HCOO]- 306.93780 160.4
[M+CH3COO]- 320.95345 191.4
[M+Na-2H]- 282.91427 149.5
[M]+ 261.93905 165.6
[M]- 261.94015 165.6
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