CID 51793

Vinylbutonate

Structural Information

Molecular Formula

C₈H₁₃Cl₂O₅P

SMILES

CCCC(=O)OC(=C(Cl)Cl)P(=O)(OC)OC

InChI

InChI=1S/C8H13Cl2O5P/c1-4-5-6(11)15-8(7(9)10)16(12,13-2)14-3/h4-5H2,1-3H3

InChIKey

MPMYPPQUXDACBU-UHFFFAOYSA-N

Compound name

(2,2-dichloro-1-dimethoxyphosphorylethenyl) butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 289.98776 Da
Monoisotopic Mass: 1.9
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]+	290.99504	153.4
[M+Na]+	312.97698	161.6
[M-H]-	288.98048	153.0
[M+NH4]+	308.02158	171.3
[M+K]+	328.95092	159.2
[M+H-H2O]+	272.98502	149.1
[M+HCOO]-	334.98596	170.1
[M+CH3COO]-	349.00161	197.0
[M+Na-2H]-	310.96243	153.6
[M]+	289.98721	162.9
[M]-	289.98831	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe