CID 114513

684-31-1

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.914196	138.0
[M+Na]+	264.896138	147.4
[M-H]-	240.899644	134.8
[M+NH4]+	259.940743	156.5
[M+K]+	280.870078	143.4
[M+H-H2O]+	224.904180	136.0
[M+HCOO]-	286.905121	147.6
[M+CH3COO]-	300.920771	182.3
[M+Na-2H]-	262.881586	141.8
[M]+	241.90637142	142.1
[M]-	241.90746858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe