CID 2474337
4-(1,3-dithiolan-2-yl)-2-methoxyphenol
Structural Information
- Molecular Formula
- C10H12O2S2
- SMILES
- COC1=C(C=CC(=C1)C2SCCS2)O
- InChI
- InChI=1S/C10H12O2S2/c1-12-9-6-7(2-3-8(9)11)10-13-4-5-14-10/h2-3,6,10-11H,4-5H2,1H3
- InChIKey
- QMTIOHSDTHZCIL-UHFFFAOYSA-N
- Compound name
- 4-(1,3-dithiolan-2-yl)-2-methoxyphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.03516 | 146.5 |
[M+Na]+ | 251.01710 | 154.8 |
[M-H]- | 227.02060 | 152.1 |
[M+NH4]+ | 246.06170 | 166.8 |
[M+K]+ | 266.99104 | 150.6 |
[M+H-H2O]+ | 211.02514 | 141.5 |
[M+HCOO]- | 273.02608 | 158.6 |
[M+CH3COO]- | 287.04173 | 183.0 |
[M+Na-2H]- | 249.00255 | 145.6 |
[M]+ | 228.02733 | 147.6 |
[M]- | 228.02843 | 147.6 |