CID 71387
Clobetasone
Structural Information
- Molecular Formula
- C22H26ClFO4
- SMILES
- C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3(C(=O)C[C@@]2([C@]1(C(=O)CCl)O)C)F)C
- InChI
- InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1
- InChIKey
- XXIFVOHLGBURIG-OZCCCYNHSA-N
- Compound name
- (8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 409.15764 | 190.5 |
[M+Na]+ | 431.13958 | 200.8 |
[M-H]- | 407.14308 | 193.5 |
[M+NH4]+ | 426.18418 | 214.4 |
[M+K]+ | 447.11352 | 193.4 |
[M+H-H2O]+ | 391.14762 | 185.9 |
[M+HCOO]- | 453.14856 | 195.0 |
[M+CH3COO]- | 467.16421 | 221.9 |
[M+Na-2H]- | 429.12503 | 191.4 |
[M]+ | 408.14981 | 189.9 |
[M]- | 408.15091 | 189.9 |