CID 11390848

4-methoxy-9,10-dihydrophenanthrene-2,7-diol

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)O)O
InChI
InChI=1S/C15H14O3/c1-18-14-8-12(17)7-10-3-2-9-6-11(16)4-5-13(9)15(10)14/h4-8,16-17H,2-3H2,1H3
InChIKey
OPPGAHUCKDKQJR-UHFFFAOYSA-N
Compound name
4-methoxy-9,10-dihydrophenanthrene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

94
Patents

242.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 151.1
[M+Na]+ 265.08352 160.3
[M-H]- 241.08702 154.5
[M+NH4]+ 260.12812 169.9
[M+K]+ 281.05746 155.8
[M+H-H2O]+ 225.09156 145.0
[M+HCOO]- 287.09250 169.4
[M+CH3COO]- 301.10815 163.4
[M+Na-2H]- 263.06897 157.9
[M]+ 242.09375 151.5
[M]- 242.09485 151.5
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