CID 121024

1133-79-5

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)O

InChI

InChI=1S/C12H12O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,13H,1-4H2

InChIKey

DLFLWVYSSLYVBK-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydrodibenzofuran-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 31
Patents: 188.08372 Da
Monoisotopic Mass: 3.2
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]+	189.090996	135.7
[M+Na]+	211.072938	145.2
[M-H]-	187.076444	141.0
[M+NH4]+	206.117543	157.8
[M+K]+	227.046878	142.4
[M+H-H2O]+	171.080980	130.8
[M+HCOO]-	233.081921	156.5
[M+CH3COO]-	247.097571	149.9
[M+Na-2H]-	209.058386	144.0
[M]+	188.08317142	136.1
[M]-	188.08426858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe