CID 179534

5,7-dimethoxyphenanthrene-2,3-diol

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)O)OC
InChI
InChI=1S/C16H14O4/c1-19-11-5-10-4-3-9-6-13(17)14(18)8-12(9)16(10)15(7-11)20-2/h3-8,17-18H,1-2H3
InChIKey
MZHODDNWVOFAGX-UHFFFAOYSA-N
Compound name
5,7-dimethoxyphenanthrene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

270.0892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 157.4
[M+Na]+ 293.07842 168.8
[M-H]- 269.08192 161.7
[M+NH4]+ 288.12302 175.4
[M+K]+ 309.05236 164.7
[M+H-H2O]+ 253.08646 150.9
[M+HCOO]- 315.08740 178.3
[M+CH3COO]- 329.10305 196.7
[M+Na-2H]- 291.06387 164.9
[M]+ 270.08865 162.8
[M]- 270.08975 162.8
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