CID 211508

23248-45-5

Structural Information

Molecular Formula

C₁₃H₂₅Cl₂O₄P

SMILES

CCCCCCCCCCOP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C13H25Cl2O4P/c1-3-4-5-6-7-8-9-10-11-18-20(16,17-2)19-12-13(14)15/h12H,3-11H2,1-2H3

InChIKey

HRQCUDXKICUJHZ-UHFFFAOYSA-N

Compound name

decyl 2,2-dichloroethenyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 346.08676 Da
Monoisotopic Mass: 5.9
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]+	347.09404	179.0
[M+Na]+	369.07598	185.2
[M-H]-	345.07948	177.2
[M+NH4]+	364.12058	194.8
[M+K]+	385.04992	180.6
[M+H-H2O]+	329.08402	173.1
[M+HCOO]-	391.08496	195.3
[M+CH3COO]-	405.10061	209.7
[M+Na-2H]-	367.06143	178.2
[M]+	346.08621	190.7
[M]-	346.08731	190.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe