CID 120167

Phosphoric acid, 2,2-dichlorovinyl diisobutyl ester

Structural Information

Molecular Formula

C₁₀H₁₉Cl₂O₄P

SMILES

CC(C)COP(=O)(OCC(C)C)OC=C(Cl)Cl

InChI

InChI=1S/C10H19Cl2O4P/c1-8(2)5-14-17(13,15-6-9(3)4)16-7-10(11)12/h7-9H,5-6H2,1-4H3

InChIKey

DSUQDLMISHOHPF-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl bis(2-methylpropyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 304.0398 Da
Monoisotopic Mass: 4.0
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]+	305.04708	162.9
[M+Na]+	327.02902	170.0
[M-H]-	303.03252	162.0
[M+NH4]+	322.07362	180.3
[M+K]+	343.00296	167.0
[M+H-H2O]+	287.03706	158.2
[M+HCOO]-	349.03800	178.5
[M+CH3COO]-	363.05365	202.5
[M+Na-2H]-	325.01447	161.6
[M]+	304.03925	172.5
[M]-	304.04035	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe