CID 2106684
2-cyano-3-[1-(2,3-dichlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]prop-2-enoic acid
Structural Information
- Molecular Formula
- C16H12Cl2N2O2
- SMILES
- CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)Cl)C)/C=C(\C#N)/C(=O)O
- InChI
- InChI=1S/C16H12Cl2N2O2/c1-9-6-11(7-12(8-19)16(21)22)10(2)20(9)14-5-3-4-13(17)15(14)18/h3-7H,1-2H3,(H,21,22)/b12-7+
- InChIKey
- HYPYAGVARWENJV-KPKJPENVSA-N
- Compound name
- (E)-2-cyano-3-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.03488 | 177.0 |
[M+Na]+ | 357.01682 | 189.8 |
[M-H]- | 333.02032 | 180.2 |
[M+NH4]+ | 352.06142 | 190.8 |
[M+K]+ | 372.99076 | 181.1 |
[M+H-H2O]+ | 317.02486 | 164.8 |
[M+HCOO]- | 379.02580 | 185.3 |
[M+CH3COO]- | 393.04145 | 216.0 |
[M+Na-2H]- | 355.00227 | 173.9 |
[M]+ | 334.02705 | 175.8 |
[M]- | 334.02815 | 175.8 |
Literature stripe
No literature data available for this compound.
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No patent data available for this compound.