CID 253786

9-fluoro-11-hydroxy-10,17,17-trimethylgona-4,13-dien-3-one

Structural Information

Molecular Formula
C20H27FO2
SMILES
CC1(CCC2=C1CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C
InChI
InChI=1S/C20H27FO2/c1-18(2)8-7-14-15-5-4-12-10-13(22)6-9-19(12,3)20(15,21)17(23)11-16(14)18/h10,15,17,23H,4-9,11H2,1-3H3
InChIKey
YSDHXMCAMJECTJ-UHFFFAOYSA-N
Compound name
9-fluoro-11-hydroxy-10,17,17-trimethyl-2,6,7,8,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1995 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20678 178.1
[M+Na]+ 341.18872 187.5
[M+NH4]+ 336.23332 191.3
[M+K]+ 357.16266 176.2
[M-H]- 317.19222 179.3
[M+Na-2H]- 339.17417 181.7
[M]+ 318.19895 180.1
[M]- 318.20005 180.1
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.