CID 3640841

4-acetyl-4'-propylbiphenyl

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: 14
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]+	239.14305	156.2
[M+Na]+	261.12499	171.7
[M+NH4]+	256.16959	165.5
[M+K]+	277.09893	162.8
[M-H]-	237.12849	161.5
[M+Na-2H]-	259.11044	166.0
[M]+	238.13522	160.1
[M]-	238.13632	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe