CID 3538911

(dichloromethyl)phosphonic dichloride

Structural Information

Molecular Formula

SMILES

C(P(=O)(Cl)Cl)(Cl)Cl

InChI

InChI=1S/CHCl4OP/c2-1(3)7(4,5)6/h1H

InChIKey

BKNIHVRMZADYLF-UHFFFAOYSA-N

Compound name

dichloro(dichlorophosphoryl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 199.85191 Da
Monoisotopic Mass: 2.4
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]+	200.85919	128.8
[M+Na]+	222.84113	138.9
[M-H]-	198.84463	126.4
[M+NH4]+	217.88573	149.2
[M+K]+	238.81507	134.4
[M+H-H2O]+	182.84917	126.7
[M+HCOO]-	244.85011	136.4
[M+CH3COO]-	258.86576	182.8
[M+Na-2H]-	220.82658	131.3
[M]+	199.85136	130.8
[M]-	199.85246	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe