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]+ 219.065176 142.4
[M+Na]+ 241.047118 151.5
[M-H]- 217.050624 147.0
[M+NH4]+ 236.091723 161.1
[M+K]+ 257.021058 150.5
[M+H-H2O]+ 201.055160 136.6
[M+HCOO]- 263.056101 158.8
[M+CH3COO]- 277.071751 155.4
[M+Na-2H]- 239.032566 153.9
[M]+ 218.05735142 142.8
[M]- 218.05844858 142.8
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.