CID 13175617

66353-47-7

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O

SMILES

CCCC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3

InChIKey

FXCJYMLJTUZGDU-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 216.01086 Da
Monoisotopic Mass: 3.7
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	141.8
[M+Na]+	239.00008	156.9
[M+NH4]+	234.04468	151.2
[M+K]+	254.97402	148.7
[M-H]-	215.00358	144.2
[M+Na-2H]-	236.98553	149.1
[M]+	216.01031	145.3
[M]-	216.01141	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe