CID 97574

Phosphoric acid, 2,2-dichlorovinyl diisopropyl ester

Structural Information

Molecular Formula

C₈H₁₅Cl₂O₄P

SMILES

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

InChI

InChI=1S/C8H15Cl2O4P/c1-6(2)13-15(11,14-7(3)4)12-5-8(9)10/h5-7H,1-4H3

InChIKey

DCFCPSAOCWUVMF-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl dipropan-2-yl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 276.0085 Da
Monoisotopic Mass: 3.0
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]+	277.01578	153.2
[M+Na]+	298.99772	161.1
[M-H]-	275.00122	152.6
[M+NH4]+	294.04232	171.7
[M+K]+	314.97166	158.6
[M+H-H2O]+	259.00576	148.8
[M+HCOO]-	321.00670	169.4
[M+CH3COO]-	335.02235	196.7
[M+Na-2H]-	296.98317	153.0
[M]+	276.00795	162.0
[M]-	276.00905	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe