CID 113846
1-amino-2-((p-chlorophenyl)thio)-2-propanol
Structural Information
- Molecular Formula
- C9H12ClNOS
- SMILES
- C1=CC(=CC=C1SCC(CN)O)Cl
- InChI
- InChI=1S/C9H12ClNOS/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2
- InChIKey
- DQNKXYAQQCITGJ-UHFFFAOYSA-N
- Compound name
- 1-amino-3-(4-chlorophenyl)sulfanylpropan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.04008 | 144.4 |
[M+Na]+ | 240.02202 | 155.9 |
[M+NH4]+ | 235.06662 | 153.4 |
[M+K]+ | 255.99596 | 147.4 |
[M-H]- | 216.02552 | 146.8 |
[M+Na-2H]- | 238.00747 | 150.0 |
[M]+ | 217.03225 | 147.4 |
[M]- | 217.03335 | 147.4 |
Literature stripe
No literature data available for this compound.