CID 6422909

Phosphorodichloridic acid, hexyl ester

Structural Information

Molecular Formula

C₆H₁₃Cl₂O₂P

SMILES

CCCCCCOP(=O)(Cl)Cl

InChI

InChI=1S/C6H13Cl2O2P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3

InChIKey

DSALCQNSJMUGOG-UHFFFAOYSA-N

Compound name

1-dichlorophosphoryloxyhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 218.00302 Da
Monoisotopic Mass: 3.3
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]+	219.01030	142.4
[M+Na]+	240.99224	153.3
[M+NH4]+	236.03684	149.9
[M+K]+	256.96618	147.1
[M-H]-	216.99574	140.6
[M+Na-2H]-	238.97769	145.7
[M]+	218.00247	143.8
[M]-	218.00357	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe