CID 5316810

Dehydroeffusol

Structural Information

Molecular Formula

C₁₇H₁₄O₂

SMILES

CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O

InChI

InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3

InChIKey

GSSPKCPIRDPBQE-UHFFFAOYSA-N

Compound name

5-ethenyl-1-methylphenanthrene-2,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 23
Patents: 250.09938 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]+	251.10666	155.0
[M+Na]+	273.08860	172.2
[M+NH4]+	268.13320	164.6
[M+K]+	289.06254	163.4
[M-H]-	249.09210	158.9
[M+Na-2H]-	271.07405	162.3
[M]+	250.09883	158.8
[M]-	250.09993	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe