CID 45267920

3,5-dimethoxy-9,10-dihydrophenanthrene-2,7-diol

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)OC)O
InChI
InChI=1S/C16H16O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h5-8,17-18H,3-4H2,1-2H3
InChIKey
BHEGXSNCDUBUFA-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

272.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 159.0
[M+Na]+ 295.09408 168.3
[M-H]- 271.09758 162.4
[M+NH4]+ 290.13868 176.7
[M+K]+ 311.06802 164.5
[M+H-H2O]+ 255.10212 152.6
[M+HCOO]- 317.10306 177.0
[M+CH3COO]- 331.11871 197.3
[M+Na-2H]- 293.07953 164.6
[M]+ 272.10431 161.5
[M]- 272.10541 161.5
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.