CID 6422925

Phosphorodichloridic acid, octyl ester

Structural Information

Molecular Formula

C₈H₁₇Cl₂O₂P

SMILES

CCCCCCCCOP(=O)(Cl)Cl

InChI

InChI=1S/C8H17Cl2O2P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3

InChIKey

DWOJDQINSJFPLB-UHFFFAOYSA-N

Compound name

1-dichlorophosphoryloxyoctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 246.03432 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]+	247.04160	153.4
[M+Na]+	269.02354	161.6
[M-H]-	245.02704	152.1
[M+NH4]+	264.06814	173.2
[M+K]+	284.99748	157.3
[M+H-H2O]+	229.03158	148.5
[M+HCOO]-	291.03252	171.4
[M+CH3COO]-	305.04817	192.2
[M+Na-2H]-	267.00899	155.7
[M]+	246.03377	161.6
[M]-	246.03487	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe