CID 18699250

1-(3,4-dichlorophenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O

SMILES

CC(C)C(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl2O/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3

InChIKey

UGECHQYGTSAESA-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 216.01086 Da
Monoisotopic Mass: 4.1
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]+	217.01814	141.9
[M+Na]+	239.00008	156.7
[M+NH4]+	234.04468	151.3
[M+K]+	254.97402	149.3
[M-H]-	215.00358	144.2
[M+Na-2H]-	236.98553	148.9
[M]+	216.01031	145.3
[M]-	216.01141	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe