CID 114513
Methyl hydrogen (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Structural Information
- Molecular Formula
- C3H6Cl3O4P
- SMILES
- COP(=O)(C(C(Cl)(Cl)Cl)O)O
- InChI
- InChI=1S/C3H6Cl3O4P/c1-10-11(8,9)2(7)3(4,5)6/h2,7H,1H3,(H,8,9)
- InChIKey
- KFPHBRHXSUAGID-UHFFFAOYSA-N
- Compound name
- methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.91420 | 138.0 |
[M+Na]+ | 264.89614 | 147.4 |
[M-H]- | 240.89964 | 134.8 |
[M+NH4]+ | 259.94074 | 156.5 |
[M+K]+ | 280.87008 | 143.4 |
[M+H-H2O]+ | 224.90418 | 136.0 |
[M+HCOO]- | 286.90512 | 147.6 |
[M+CH3COO]- | 300.92077 | 182.3 |
[M+Na-2H]- | 262.88159 | 141.8 |
[M]+ | 241.90637 | 142.1 |
[M]- | 241.90747 | 142.1 |