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 142.4
[M+Na]+ 241.04712 151.5
[M-H]- 217.05062 147.0
[M+NH4]+ 236.09172 161.1
[M+K]+ 257.02106 150.5
[M+H-H2O]+ 201.05516 136.6
[M+HCOO]- 263.05610 158.8
[M+CH3COO]- 277.07175 155.4
[M+Na-2H]- 239.03257 153.9
[M]+ 218.05735 142.8
[M]- 218.05845 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.