CID 211506

23248-43-3

Structural Information

Molecular Formula

C₁₀H₁₉Cl₂O₄P

SMILES

CCCCCCCOP(=O)(OC)OC=C(Cl)Cl

InChI

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

InChIKey

QANJVSVOBYIYAA-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl heptyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 304.0398 Da
Monoisotopic Mass: 4.3
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	164.8
[M+Na]+	327.02902	172.2
[M-H]-	303.03252	163.5
[M+NH4]+	322.07362	182.2
[M+K]+	343.00296	168.3
[M+H-H2O]+	287.03706	159.5
[M+HCOO]-	349.03800	182.1
[M+CH3COO]-	363.05365	201.0
[M+Na-2H]-	325.01447	165.6
[M]+	304.03925	175.4
[M]-	304.04035	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe