CID 607299

129812-23-3

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

CC1=C(OC2=C1C3=CC=CC=C3C=C2)C

InChI

InChI=1S/C14H12O/c1-9-10(2)15-13-8-7-11-5-3-4-6-12(11)14(9)13/h3-8H,1-2H3

InChIKey

YHYOQUQINUTULF-UHFFFAOYSA-N

Compound name

1,2-dimethylbenzo[e][1]benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.08882 Da
Monoisotopic Mass: 4.3
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]+	197.096096	139.3
[M+Na]+	219.078038	151.5
[M-H]-	195.081544	146.8
[M+NH4]+	214.122643	162.3
[M+K]+	235.051978	148.2
[M+H-H2O]+	179.086080	134.1
[M+HCOO]-	241.087021	163.5
[M+CH3COO]-	255.102671	154.9
[M+Na-2H]-	217.063486	148.1
[M]+	196.08827142	144.0
[M]-	196.08936858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe