CID 12158287

Methanone, [4-(1-methylpropyl)phenyl]phenyl-

Structural Information

Molecular Formula

C₁₇H₁₈O

SMILES

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

InChI

InChI=1S/C17H18O/c1-3-13(2)14-9-11-16(12-10-14)17(18)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3

InChIKey

UOOYYNLYCWHQKS-UHFFFAOYSA-N

Compound name

(4-butan-2-ylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 238.13577 Da
Monoisotopic Mass: 4.8
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	155.7
[M+Na]+	261.124988	161.6
[M-H]-	237.128494	162.0
[M+NH4]+	256.169593	173.0
[M+K]+	277.098928	158.0
[M+H-H2O]+	221.133030	148.2
[M+HCOO]-	283.133971	177.5
[M+CH3COO]-	297.149621	195.1
[M+Na-2H]-	259.110436	159.0
[M]+	238.13522142	155.7
[M]-	238.13631858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe