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

compound 2d structure
5
Annotation Hits

0
References

6
Patents

241.90692 Da
Monoisotopic Mass

0.0
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe