CID 102124

2-propyl methylphosphonochloridate

Structural Information

Molecular Formula

C₄H₁₀ClO₂P

SMILES

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

InChI

InChI=1S/C4H10ClO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3

InChIKey

RHAHLPAWJVKXAZ-UHFFFAOYSA-N

Compound name

2-[chloro(methyl)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 104
Patents: 156.0107 Da
Monoisotopic Mass: 1.0
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]+	157.017976	129.4
[M+Na]+	178.999918	138.5
[M-H]-	155.003424	129.3
[M+NH4]+	174.044523	152.2
[M+K]+	194.973858	137.4
[M+H-H2O]+	139.007960	124.6
[M+HCOO]-	201.008901	152.7
[M+CH3COO]-	215.024551	176.2
[M+Na-2H]-	176.985366	133.2
[M]+	156.01015142	134.6
[M]-	156.01124858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe