CID 474817
Chembl106668
Structural Information
- Molecular Formula
- C16H10Cl2FNO4S
- SMILES
- CCOC(=O)C1=C(C2=C(S1)C=C(OC2=O)C3=CC(=C(C=C3Cl)Cl)F)N
- InChI
- InChI=1S/C16H10Cl2FNO4S/c1-2-23-16(22)14-13(20)12-11(25-14)5-10(24-15(12)21)6-3-9(19)8(18)4-7(6)17/h3-5H,2,20H2,1H3
- InChIKey
- DGXDZRHKQPPSGB-UHFFFAOYSA-N
- Compound name
- ethyl 3-amino-6-(2,4-dichloro-5-fluorophenyl)-4-oxothieno[3,2-c]pyran-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.97646 | 185.1 |
[M+Na]+ | 423.95840 | 199.4 |
[M-H]- | 399.96190 | 193.5 |
[M+NH4]+ | 419.00300 | 200.4 |
[M+K]+ | 439.93234 | 193.5 |
[M+H-H2O]+ | 383.96644 | 180.1 |
[M+HCOO]- | 445.96738 | 194.7 |
[M+CH3COO]- | 459.98303 | 219.3 |
[M+Na-2H]- | 421.94385 | 183.9 |
[M]+ | 400.96863 | 196.2 |
[M]- | 400.96973 | 196.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.