CID 165899294
(4r)-4-amino-4-(4-chloro-3-fluorophenyl)butan-1-ol hydrochloride
Structural Information
- Molecular Formula
- C10H13ClFNO
- SMILES
- C1=CC(=C(C=C1[C@@H](CCCO)N)F)Cl
- InChI
- InChI=1S/C10H13ClFNO/c11-8-4-3-7(6-9(8)12)10(13)2-1-5-14/h3-4,6,10,14H,1-2,5,13H2/t10-/m1/s1
- InChIKey
- WVXZTNKXUIFWGC-SNVBAGLBSA-N
- Compound name
- (4R)-4-amino-4-(4-chloro-3-fluorophenyl)butan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.07425 | 145.0 |
[M+Na]+ | 240.05619 | 153.1 |
[M-H]- | 216.05969 | 145.5 |
[M+NH4]+ | 235.10079 | 163.5 |
[M+K]+ | 256.03013 | 148.1 |
[M+H-H2O]+ | 200.06423 | 139.4 |
[M+HCOO]- | 262.06517 | 161.8 |
[M+CH3COO]- | 276.08082 | 187.6 |
[M+Na-2H]- | 238.04164 | 147.6 |
[M]+ | 217.06642 | 144.1 |
[M]- | 217.06752 | 144.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.