CID 1112312
Ethyl 5-chloro-2-[(chloroacetyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate
Structural Information
- Molecular Formula
- C16H15Cl2NO3S
- SMILES
- CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)Cl)NC(=O)CCl
- InChI
- InChI=1S/C16H15Cl2NO3S/c1-3-22-16(21)13-12(10-6-4-9(2)5-7-10)14(18)23-15(13)19-11(20)8-17/h4-7H,3,8H2,1-2H3,(H,19,20)
- InChIKey
- XAVVYBHSXRJLIY-UHFFFAOYSA-N
- Compound name
- ethyl 5-chloro-2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 372.02226 | 183.0 |
[M+Na]+ | 394.00420 | 192.3 |
[M-H]- | 370.00770 | 190.2 |
[M+NH4]+ | 389.04880 | 199.2 |
[M+K]+ | 409.97814 | 186.0 |
[M+H-H2O]+ | 354.01224 | 178.2 |
[M+HCOO]- | 416.01318 | 192.7 |
[M+CH3COO]- | 430.02883 | 213.7 |
[M+Na-2H]- | 391.98965 | 179.4 |
[M]+ | 371.01443 | 191.5 |
[M]- | 371.01553 | 191.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.