CID 12800883

(2-chloroethoxy)(2-chloroethyl)phosphinic acid

Structural Information

Molecular Formula

C₄H₉Cl₂O₃P

SMILES

C(CCl)OP(=O)(CCCl)O

InChI

InChI=1S/C4H9Cl2O3P/c5-1-3-9-10(7,8)4-2-6/h1-4H2,(H,7,8)

InChIKey

NLAFDAIUYHCRGU-UHFFFAOYSA-N

Compound name

2-chloroethoxy(2-chloroethyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 205.96663 Da
Monoisotopic Mass: 0.1
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]+	206.97391	137.0
[M+Na]+	228.95585	146.3
[M-H]-	204.95935	135.0
[M+NH4]+	224.00045	157.5
[M+K]+	244.92979	142.6
[M+H-H2O]+	188.96389	133.0
[M+HCOO]-	250.96483	155.0
[M+CH3COO]-	264.98048	179.6
[M+Na-2H]-	226.94130	141.1
[M]+	205.96608	143.1
[M]-	205.96718	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe