CID 27060

Benzophenone, 2-hydroxy-4-butoxy-

Structural Information

Molecular Formula

C₁₇H₁₈O₃

SMILES

CCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H18O3/c1-2-3-11-20-14-9-10-15(16(18)12-14)17(19)13-7-5-4-6-8-13/h4-10,12,18H,2-3,11H2,1H3

InChIKey

IADJBCIKCXGXDN-UHFFFAOYSA-N

Compound name

(4-butoxy-2-hydroxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 312
Patents: 270.12558 Da
Monoisotopic Mass: 4.9
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]+	271.132856	162.5
[M+Na]+	293.114798	169.0
[M-H]-	269.118304	167.7
[M+NH4]+	288.159403	178.0
[M+K]+	309.088738	165.2
[M+H-H2O]+	253.122840	154.8
[M+HCOO]-	315.123781	184.2
[M+CH3COO]-	329.139431	196.9
[M+Na-2H]-	291.100246	165.8
[M]+	270.12503142	164.5
[M]-	270.12612858	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe