CID 3640841

60137-92-0

Structural Information

Molecular Formula

C₁₇H₁₈O

SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H18O/c1-3-4-14-5-7-16(8-6-14)17-11-9-15(10-12-17)13(2)18/h5-12H,3-4H2,1-2H3

InChIKey

LMOXYMSDLCVONT-UHFFFAOYSA-N

Compound name

1-[4-(4-propylphenyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 238.13577 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]+	239.143046	155.0
[M+Na]+	261.124988	162.3
[M-H]-	237.128494	161.7
[M+NH4]+	256.169593	172.8
[M+K]+	277.098928	158.1
[M+H-H2O]+	221.133030	147.7
[M+HCOO]-	283.133971	177.9
[M+CH3COO]-	297.149621	195.4
[M+Na-2H]-	259.110436	158.9
[M]+	238.13522142	156.1
[M]-	238.13631858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe