CID 126961138

4,4a-dihydroxy-dihydro-dibenzo-p-dioxin

Structural Information

Molecular Formula
C12H10O4
SMILES
C1=CC=C2C(=C1)OC3=CC=C[C@@H]([C@]3(O2)O)O
InChI
InChI=1S/C12H10O4/c13-10-6-3-7-11-12(10,14)16-9-5-2-1-4-8(9)15-11/h1-7,10,13-14H/t10-,12+/m0/s1
InChIKey
IYMGVVSBFUUUDL-CMPLNLGQSA-N
Compound name
(1S,10aR)-1H-dibenzo-p-dioxin-1,10a-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

218.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 143.8
[M+Na]+ 241.04712 158.0
[M+NH4]+ 236.09172 154.4
[M+K]+ 257.02106 150.4
[M-H]- 217.05062 148.9
[M+Na-2H]- 239.03257 150.1
[M]+ 218.05735 147.5
[M]- 218.05845 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.