CID 2757666

(4-chlorophenyl)(3-methylphenyl)methanone

Structural Information

Molecular Formula

C₁₄H₁₁ClO

SMILES

CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClO/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(15)8-6-11/h2-9H,1H3

InChIKey

QNLZAQKYBMIIPN-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(3-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 230.04984 Da
Monoisotopic Mass: 4.6
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]+	231.057116	147.5
[M+Na]+	253.039058	156.9
[M-H]-	229.042564	154.6
[M+NH4]+	248.083663	166.5
[M+K]+	269.012998	151.6
[M+H-H2O]+	213.047100	141.5
[M+HCOO]-	275.048041	166.8
[M+CH3COO]-	289.063691	190.1
[M+Na-2H]-	251.024506	152.6
[M]+	230.04929142	149.8
[M]-	230.05038858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe