CID 199941

5301-54-2

Structural Information

Molecular Formula

C₆H₁₁Cl₂O₄P

SMILES

CC(C)OP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C6H11Cl2O4P/c1-5(2)12-13(9,10-3)11-4-6(7)8/h4-5H,1-3H3

InChIKey

VBAXPQCCVNMHRC-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl methyl propan-2-yl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 247.9772 Da
Monoisotopic Mass: 2.2
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]+	248.98448	144.6
[M+Na]+	270.96642	153.5
[M-H]-	246.96992	144.2
[M+NH4]+	266.01102	164.2
[M+K]+	286.94036	151.1
[M+H-H2O]+	230.97446	140.4
[M+HCOO]-	292.97540	162.3
[M+CH3COO]-	306.99105	190.0
[M+Na-2H]-	268.95187	146.5
[M]+	247.97665	153.2
[M]-	247.97775	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe