CID 93939

Methanone, (2-hydroxy-5-nonylphenyl)phenyl-

Structural Information

Molecular Formula

C₂₂H₂₈O₂

SMILES

CCCCCCCCCC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O2/c1-2-3-4-5-6-7-9-12-18-15-16-21(23)20(17-18)22(24)19-13-10-8-11-14-19/h8,10-11,13-17,23H,2-7,9,12H2,1H3

InChIKey

BHBZCWUKTDYMJM-UHFFFAOYSA-N

Compound name

(2-hydroxy-5-nonylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 91
Patents: 324.20892 Da
Monoisotopic Mass: 8.1
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]+	325.216196	182.2
[M+Na]+	347.198138	186.6
[M-H]-	323.201644	186.4
[M+NH4]+	342.242743	195.5
[M+K]+	363.172078	181.0
[M+H-H2O]+	307.206180	173.8
[M+HCOO]-	369.207121	201.9
[M+CH3COO]-	383.222771	209.7
[M+Na-2H]-	345.183586	182.8
[M]+	324.20837142	184.5
[M]-	324.20946858	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe