CID 2736071
1-(3,5-dichlorophenyl)propane-1,2-dione
Structural Information
- Molecular Formula
- C9H6Cl2O2
- SMILES
- CC(=O)C(=O)C1=CC(=CC(=C1)Cl)Cl
- InChI
- InChI=1S/C9H6Cl2O2/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-4H,1H3
- InChIKey
- WWMMJQWHEMLODX-UHFFFAOYSA-N
- Compound name
- 1-(3,5-dichlorophenyl)propane-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 216.98177 | 136.9 |
[M+Na]+ | 238.96371 | 147.4 |
[M-H]- | 214.96721 | 140.6 |
[M+NH4]+ | 234.00831 | 157.1 |
[M+K]+ | 254.93765 | 142.8 |
[M+H-H2O]+ | 198.97175 | 133.6 |
[M+HCOO]- | 260.97269 | 150.8 |
[M+CH3COO]- | 274.98834 | 186.2 |
[M+Na-2H]- | 236.94916 | 140.4 |
[M]+ | 215.97394 | 141.0 |
[M]- | 215.97504 | 141.0 |
Literature stripe
No literature data available for this compound.