CID 363815

Nsc629030

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

CC1(CC2=C(C(=O)C1)C3=CC(=C(C=C3O2)O)O)C

InChI

InChI=1S/C14H14O4/c1-14(2)5-10(17)13-7-3-8(15)9(16)4-11(7)18-12(13)6-14/h3-4,15-16H,5-6H2,1-2H3

InChIKey

YPKVVPNXHVITTF-UHFFFAOYSA-N

Compound name

7,8-dihydroxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 246.0892 Da
Monoisotopic Mass: 2.6
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]+	247.096476	150.3
[M+Na]+	269.078418	162.2
[M-H]-	245.081924	155.4
[M+NH4]+	264.123023	172.0
[M+K]+	285.052358	159.0
[M+H-H2O]+	229.086460	146.2
[M+HCOO]-	291.087401	169.2
[M+CH3COO]-	305.103051	190.0
[M+Na-2H]-	267.063866	156.5
[M]+	246.08865142	153.4
[M]-	246.08974858	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.