CID 76541

3095-94-1

Structural Information

Molecular Formula

C₈H₁₇Cl₂OP

SMILES

CCCCCCCCP(=O)(Cl)Cl

InChI

InChI=1S/C8H17Cl2OP/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

InChIKey

RTHCRCDXILKTCY-UHFFFAOYSA-N

Compound name

1-dichlorophosphoryloctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 230.03941 Da
Monoisotopic Mass: 4.4
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]+	231.04669	151.3
[M+Na]+	253.02863	159.5
[M-H]-	229.03213	149.9
[M+NH4]+	248.07323	171.6
[M+K]+	269.00257	154.6
[M+H-H2O]+	213.03667	146.4
[M+HCOO]-	275.03761	168.9
[M+CH3COO]-	289.05326	190.3
[M+Na-2H]-	251.01408	153.3
[M]+	230.03886	157.9
[M]-	230.03996	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe