CID 454156

16-fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Structural Information

Molecular Formula
C19H29FO2
SMILES
CC12CCC(CC1CCC3C2CCC4(C3CC(C4=O)F)C)O
InChI
InChI=1S/C19H29FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3
InChIKey
SRDUIZPBSBBLDC-UHFFFAOYSA-N
Compound name
16-fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

308.21515 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22243 176.4
[M+Na]+ 331.20437 181.9
[M-H]- 307.20787 178.1
[M+NH4]+ 326.24897 199.4
[M+K]+ 347.17831 175.7
[M+H-H2O]+ 291.21241 169.8
[M+HCOO]- 353.21335 183.4
[M+CH3COO]- 367.22900 184.9
[M+Na-2H]- 329.18982 175.0
[M]+ 308.21460 166.7
[M]- 308.21570 166.7
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