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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 150.3
[M+Na]+ 269.07842 162.2
[M-H]- 245.08192 155.4
[M+NH4]+ 264.12302 172.0
[M+K]+ 285.05236 159.0
[M+H-H2O]+ 229.08646 146.2
[M+HCOO]- 291.08740 169.2
[M+CH3COO]- 305.10305 190.0
[M+Na-2H]- 267.06387 156.5
[M]+ 246.08865 153.4
[M]- 246.08975 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.