CID 2756888

2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone

Structural Information

Molecular Formula
C10H10BrClO2
SMILES
CC1=CC(=C(C=C1Cl)C(=O)CBr)OC
InChI
InChI=1S/C10H10BrClO2/c1-6-3-10(14-2)7(4-8(6)12)9(13)5-11/h3-4H,5H2,1-2H3
InChIKey
BYBYETVLFBNBBH-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

275.95526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96254 147.8
[M+Na]+ 298.94448 152.6
[M+NH4]+ 293.98908 152.8
[M+K]+ 314.91842 151.9
[M-H]- 274.94798 148.3
[M+Na-2H]- 296.92993 151.1
[M]+ 275.95471 147.7
[M]- 275.95581 147.7
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