CID 24623
2,2,3-trichloropropanal
Structural Information
- Molecular Formula
- C3H3Cl3O
- SMILES
- C(C(C=O)(Cl)Cl)Cl
- InChI
- InChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2
- InChIKey
- VMVQOWJGWBIGEU-UHFFFAOYSA-N
- Compound name
- 2,2,3-trichloropropanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 160.93222 | 124.9 |
[M+Na]+ | 182.91416 | 134.9 |
[M-H]- | 158.91766 | 124.1 |
[M+NH4]+ | 177.95876 | 146.8 |
[M+K]+ | 198.88810 | 130.6 |
[M+H-H2O]+ | 142.92220 | 123.8 |
[M+HCOO]- | 204.92314 | 133.3 |
[M+CH3COO]- | 218.93879 | 174.5 |
[M+Na-2H]- | 180.89961 | 131.7 |
[M]+ | 159.92439 | 127.4 |
[M]- | 159.92549 | 127.4 |