CID 102543

1023-91-2

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

CC1(C2=CC=CC=C2C(O1)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C16H16O2/c1-15(2)13-10-6-7-11-14(13)16(17,18-15)12-8-4-3-5-9-12/h3-11,17H,1-2H3

InChIKey

XNIDDCSFMRIISS-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1-phenyl-2-benzofuran-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.11504 Da
Monoisotopic Mass: 2.7
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]+	241.12232	152.4
[M+Na]+	263.10426	167.0
[M+NH4]+	258.14886	165.1
[M+K]+	279.07820	157.5
[M-H]-	239.10776	158.5
[M+Na-2H]-	261.08971	163.0
[M]+	240.11449	156.8
[M]-	240.11559	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe