CID 148324

39834-45-2

Structural Information

Molecular Formula

C₁₄H₁₀O

SMILES

C1=CC=C2C(=C1)C=CC3=C2C4C(O4)C=C3

InChI

InChI=1S/C14H10O/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-8,12,14H

InChIKey

SHJAOFFXDWCMOC-UHFFFAOYSA-N

Compound name

14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 194.07317 Da
Monoisotopic Mass: 3.0
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]+	195.08045	141.1
[M+Na]+	217.06239	159.4
[M+NH4]+	212.10699	153.6
[M+K]+	233.03633	151.7
[M-H]-	193.06589	154.4
[M+Na-2H]-	215.04784	151.2
[M]+	194.07262	149.0
[M]-	194.07372	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe