CID 55192

2-hydroxy-4-(pentyloxy)benzophenone

Structural Information

Molecular Formula

C₁₈H₂₀O₃

SMILES

CCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H20O3/c1-2-3-7-12-21-15-10-11-16(17(19)13-15)18(20)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3

InChIKey

LNNJJSNAJSNRQF-UHFFFAOYSA-N

Compound name

(2-hydroxy-4-pentoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 284.14124 Da
Monoisotopic Mass: 5.4
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]+	285.148516	167.1
[M+Na]+	307.130458	173.2
[M-H]-	283.133964	172.1
[M+NH4]+	302.175063	182.0
[M+K]+	323.104398	169.1
[M+H-H2O]+	267.138500	159.2
[M+HCOO]-	329.139441	188.4
[M+CH3COO]-	343.155091	199.9
[M+Na-2H]-	305.115906	169.9
[M]+	284.14069142	169.4
[M]-	284.14178858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe