CID 87795

Dibutyl 2,2-dichlorovinyl phosphate

Structural Information

Molecular Formula

C₁₀H₁₉Cl₂O₄P

SMILES

CCCCOP(=O)(OCCCC)OC=C(Cl)Cl

InChI

InChI=1S/C10H19Cl2O4P/c1-3-5-7-14-17(13,15-8-6-4-2)16-9-10(11)12/h9H,3-8H2,1-2H3

InChIKey

LZILLTAAQRALBQ-UHFFFAOYSA-N

Compound name

dibutyl 2,2-dichloroethenyl phosphate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11
References: 16
Patents: 304.0398 Da
Monoisotopic Mass: 3.9
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]+	305.047076	164.8
[M+Na]+	327.029018	172.2
[M-H]-	303.032524	163.5
[M+NH4]+	322.073623	182.2
[M+K]+	343.002958	168.3
[M+H-H2O]+	287.037060	159.5
[M+HCOO]-	349.038001	182.1
[M+CH3COO]-	363.053651	201.0
[M+Na-2H]-	325.014466	165.6
[M]+	304.03925142	175.4
[M]-	304.04034858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe