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 176.9
[M+Na]+ 341.18872 185.3
[M-H]- 317.19222 179.8
[M+NH4]+ 336.23332 201.8
[M+K]+ 357.16266 178.7
[M+H-H2O]+ 301.19676 170.2
[M+HCOO]- 363.19770 186.7
[M+CH3COO]- 377.21335 186.7
[M+Na-2H]- 339.17417 178.2
[M]+ 318.19895 171.1
[M]- 318.20005 171.1
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.