CID 5316810

137319-34-7

Structural Information

Molecular Formula
C17H14O2
SMILES
CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O
InChI
InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3
InChIKey
GSSPKCPIRDPBQE-UHFFFAOYSA-N
Compound name
5-ethenyl-1-methylphenanthrene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

20
Patents

250.09938 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 154.3
[M+Na]+ 273.08860 166.0
[M-H]- 249.09210 158.5
[M+NH4]+ 268.13320 173.3
[M+K]+ 289.06254 159.6
[M+H-H2O]+ 233.09664 148.3
[M+HCOO]- 295.09758 174.8
[M+CH3COO]- 309.11323 167.4
[M+Na-2H]- 271.07405 161.2
[M]+ 250.09883 156.5
[M]- 250.09993 156.5
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.