CID 133967

Fluasterone

Structural Information

Molecular Formula
C19H27FO
SMILES
C[C@]12CCCCC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)F)C
InChI
InChI=1S/C19H27FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h6,13-16H,3-5,7-11H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1
InChIKey
VHZXNQKVFDBFIK-NBBHSKLNSA-N
Compound name
(8R,9S,10R,13S,14S,16R)-16-fluoro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

8937
Patents

290.2046 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21188 172.0
[M+Na]+ 313.19382 178.1
[M-H]- 289.19732 175.2
[M+NH4]+ 308.23842 196.2
[M+K]+ 329.16776 171.8
[M+H-H2O]+ 273.20186 164.4
[M+HCOO]- 335.20280 182.0
[M+CH3COO]- 349.21845 181.5
[M+Na-2H]- 311.17927 172.0
[M]+ 290.20405 163.5
[M]- 290.20515 163.5
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