CID 6434578

58953-18-7

Structural Information

Molecular Formula

C₁₅H₁₁ClO

SMILES

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

InChI

InChI=1S/C15H11ClO/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H/b11-10+

InChIKey

IPQGILWDLLCCRZ-ZHACJKMWSA-N

Compound name

(E)-3-chloro-1-(4-phenylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.04984 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]+	243.057116	152.1
[M+Na]+	265.039058	160.5
[M-H]-	241.042564	158.6
[M+NH4]+	260.083663	170.2
[M+K]+	281.012998	154.2
[M+H-H2O]+	225.047100	145.7
[M+HCOO]-	287.048041	171.2
[M+CH3COO]-	301.063691	190.5
[M+Na-2H]-	263.024506	157.2
[M]+	242.04929142	153.5
[M]-	242.05038858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.