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 146.8
[M+Na]+ 298.94448 160.5
[M-H]- 274.94798 153.7
[M+NH4]+ 293.98908 168.2
[M+K]+ 314.91842 148.2
[M+H-H2O]+ 258.95252 148.0
[M+HCOO]- 320.95346 163.8
[M+CH3COO]- 334.96911 195.3
[M+Na-2H]- 296.92993 152.1
[M]+ 275.95471 170.0
[M]- 275.95581 170.0
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