PubChemLite - Fluoxymesterone (C20H29FO3)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F

InChI

InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1

InChIKey

YLRFCQOZQXIBAB-RBZZARIASA-N

Compound name

(8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	337.21736	180.5
[M+Na]+	359.19930	187.9
[M+NH4]+	354.24390	194.0
[M+K]+	375.17324	176.2
[M-H]-	335.20280	180.4
[M+Na-2H]-	357.18475	183.9
[M]+	336.20953	181.9
[M]-	336.21063	181.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

337.21736

180.5

[M+Na]+

359.19930

187.9

[M+NH4]+

354.24390

194.0

[M+K]+

375.17324

176.2

[M-H]-

335.20280

180.4

[M+Na-2H]-

357.18475

183.9

[M]+

336.20953

181.9

[M]-

336.21063

181.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fluoxymesterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe