CID 66388

Vincofos

Structural Information

Molecular Formula

C₁₁H₂₁Cl₂O₄P

SMILES

CCCCCCCCOP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C11H21Cl2O4P/c1-3-4-5-6-7-8-9-16-18(14,15-2)17-10-11(12)13/h10H,3-9H2,1-2H3

InChIKey

HTBIRVYBBVMZPP-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl methyl octyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 234
Patents: 318.05545 Da
Monoisotopic Mass: 4.8
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]+	319.06273	169.6
[M+Na]+	341.04467	176.6
[M-H]-	317.04817	168.1
[M+NH4]+	336.08927	186.4
[M+K]+	357.01861	172.4
[M+H-H2O]+	301.05271	164.1
[M+HCOO]-	363.05365	186.5
[M+CH3COO]-	377.06930	203.9
[M+Na-2H]-	339.03012	169.8
[M]+	318.05490	180.5
[M]-	318.05600	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe