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

3
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]+	305.04708	163.7
[M+Na]+	327.02902	172.5
[M+NH4]+	322.07362	169.0
[M+K]+	343.00296	167.2
[M-H]-	303.03252	160.2
[M+Na-2H]-	325.01447	164.6
[M]+	304.03925	164.1
[M]-	304.04035	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe