CID 97583

2,3-methylenedioxynaphthalene

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

C1OC2=CC3=CC=CC=C3C=C2O1

InChI

InChI=1S/C11H8O2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2

InChIKey

NWRWWWMEZJKVCS-UHFFFAOYSA-N

Compound name

benzo[f][1,3]benzodioxole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 158
Patents: 172.05243 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]+	173.05971	131.2
[M+Na]+	195.04165	146.2
[M+NH4]+	190.08625	142.2
[M+K]+	211.01559	141.0
[M-H]-	171.04515	137.6
[M+Na-2H]-	193.02710	137.7
[M]+	172.05188	135.4
[M]-	172.05298	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe