CID 2756888

683274-74-0

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: 55
Patents: 275.95526 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.962536	146.8
[M+Na]+	298.944478	160.5
[M-H]-	274.947984	153.7
[M+NH4]+	293.989083	168.2
[M+K]+	314.918418	148.2
[M+H-H2O]+	258.952520	148.0
[M+HCOO]-	320.953461	163.8
[M+CH3COO]-	334.969111	195.3
[M+Na-2H]-	296.929926	152.1
[M]+	275.95471142	170.0
[M]-	275.95580858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe