CID 70611

Bis(2-chloroethyl) phosphonate

Structural Information

Molecular Formula

C₄H₉Cl₂O₃P

SMILES

C(CCl)OP(O)OCCCl

InChI

InChI=1S/C4H9Cl2O3P/c5-1-3-8-10(7)9-4-2-6/h7H,1-4H2

InChIKey

GGCXLVWDCPTFMN-UHFFFAOYSA-N

Compound name

bis(2-chloroethyl) hydrogen phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 205.96663 Da
Monoisotopic Mass: 0.7
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	136.4
[M+Na]+	228.95585	144.8
[M-H]-	204.95935	134.1
[M+NH4]+	224.00045	156.8
[M+K]+	244.92979	141.8
[M+H-H2O]+	188.96389	132.0
[M+HCOO]-	250.96483	154.9
[M+CH3COO]-	264.98048	180.9
[M+Na-2H]-	226.94130	138.6
[M]+	205.96608	143.2
[M]-	205.96718	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe