CID 59817
104097-39-4
Structural Information
- Molecular Formula
- C11H14O2S2
- SMILES
- C1=CC=C(C=C1)CC(=O)OCC(CS)S
- InChI
- InChI=1S/C11H14O2S2/c12-11(13-7-10(15)8-14)6-9-4-2-1-3-5-9/h1-5,10,14-15H,6-8H2
- InChIKey
- QTLYUIWSFRLABZ-UHFFFAOYSA-N
- Compound name
- 2,3-bis(sulfanyl)propyl 2-phenylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 243.05080 | 151.4 |
[M+Na]+ | 265.03274 | 157.6 |
[M-H]- | 241.03624 | 154.4 |
[M+NH4]+ | 260.07734 | 169.3 |
[M+K]+ | 281.00668 | 154.0 |
[M+H-H2O]+ | 225.04078 | 145.0 |
[M+HCOO]- | 287.04172 | 162.7 |
[M+CH3COO]- | 301.05737 | 190.0 |
[M+Na-2H]- | 263.01819 | 151.0 |
[M]+ | 242.04297 | 155.7 |
[M]- | 242.04407 | 155.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.