CID 14104268

9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3OC)O)O
InChI
InChI=1S/C16H16O4/c1-19-13-6-5-11-12(16(13)18)4-3-9-7-10(17)8-14(20-2)15(9)11/h5-8,17-18H,3-4H2,1-2H3
InChIKey
YSSFIGREEVEYNI-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

272.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.112136 159.0
[M+Na]+ 295.094078 168.3
[M-H]- 271.097584 162.4
[M+NH4]+ 290.138683 176.7
[M+K]+ 311.068018 164.5
[M+H-H2O]+ 255.102120 152.6
[M+HCOO]- 317.103061 177.0
[M+CH3COO]- 331.118711 197.3
[M+Na-2H]- 293.079526 164.6
[M]+ 272.10431142 161.5
[M]- 272.10540858 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

literature stripe

Patent stripe

patents stripe