CID 13752554

59074-25-8

Structural Information

Molecular Formula

C₁₅H₁₁ClO

SMILES

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

InChI

InChI=1S/C15H11ClO/c1-11(12-5-3-2-4-6-12)15(17)13-7-9-14(16)10-8-13/h2-10H,1H2

InChIKey

XBBCDQHSQJHEMJ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 242.04984 Da
Monoisotopic Mass: 4.5
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]+	243.057116	151.4
[M+Na]+	265.039058	159.4
[M-H]-	241.042564	158.0
[M+NH4]+	260.083663	169.4
[M+K]+	281.012998	153.7
[M+H-H2O]+	225.047100	145.1
[M+HCOO]-	287.048041	169.6
[M+CH3COO]-	301.063691	192.0
[M+Na-2H]-	263.024506	155.4
[M]+	242.04929142	152.3
[M]-	242.05038858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe