CID 383111

Nsc671155

Structural Information

Molecular Formula

C₇H₁₁Cl₂OP

SMILES

C=CCP(=O)(CC=C)C(Cl)Cl

InChI

InChI=1S/C7H11Cl2OP/c1-3-5-11(10,6-4-2)7(8)9/h3-4,7H,1-2,5-6H2

InChIKey

YJYRCSCBBVCSES-UHFFFAOYSA-N

Compound name

3-[dichloromethyl(prop-2-enyl)phosphoryl]prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.99246 Da
Monoisotopic Mass: 2.1
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]+	212.99974	142.7
[M+Na]+	234.98168	151.8
[M-H]-	210.98518	141.8
[M+NH4]+	230.02628	163.7
[M+K]+	250.95562	146.4
[M+H-H2O]+	194.98972	138.5
[M+HCOO]-	256.99066	160.2
[M+CH3COO]-	271.00631	186.0
[M+Na-2H]-	232.96713	144.4
[M]+	211.99191	147.2
[M]-	211.99301	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.