CID 13624872
Methyl (3e)-4-(3-chlorophenyl)-2-oxobut-3-enoate
Structural Information
- Molecular Formula
- C11H9ClO3
- SMILES
- COC(=O)C(=O)/C=C/C1=CC(=CC=C1)Cl
- InChI
- InChI=1S/C11H9ClO3/c1-15-11(14)10(13)6-5-8-3-2-4-9(12)7-8/h2-7H,1H3/b6-5+
- InChIKey
- DEGHGCFUXGDZGK-AATRIKPKSA-N
- Compound name
- methyl (E)-4-(3-chlorophenyl)-2-oxobut-3-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.03130 | 144.0 |
[M+Na]+ | 247.01324 | 152.8 |
[M-H]- | 223.01674 | 147.8 |
[M+NH4]+ | 242.05784 | 163.2 |
[M+K]+ | 262.98718 | 149.1 |
[M+H-H2O]+ | 207.02128 | 139.2 |
[M+HCOO]- | 269.02222 | 162.8 |
[M+CH3COO]- | 283.03787 | 186.1 |
[M+Na-2H]- | 244.99869 | 147.7 |
[M]+ | 224.02347 | 147.9 |
[M]- | 224.02457 | 147.9 |
Literature stripe
Patent stripe
No patent data available for this compound.