CID 71438453

2,6-dimethoxy-4-phenanthrenol

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=CC2=C(C=CC3=CC(=CC(=C32)O)OC)C=C1
InChI
InChI=1S/C16H14O3/c1-18-12-6-5-10-3-4-11-7-13(19-2)9-15(17)16(11)14(10)8-12/h3-9,17H,1-2H3
InChIKey
NTVJURNVFOEVHP-UHFFFAOYSA-N
Compound name
2,6-dimethoxyphenanthren-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 154.1
[M+Na]+ 277.08352 165.2
[M-H]- 253.08702 159.4
[M+NH4]+ 272.12812 173.2
[M+K]+ 293.05746 161.0
[M+H-H2O]+ 237.09156 147.3
[M+HCOO]- 299.09250 176.3
[M+CH3COO]- 313.10815 167.6
[M+Na-2H]- 275.06897 162.6
[M]+ 254.09375 159.3
[M]- 254.09485 159.3
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.