CID 12459481

23164-47-8

Structural Information

Molecular Formula

C₅H₁₂ClO₂P

SMILES

CCCCOP(=O)(C)Cl

InChI

InChI=1S/C5H12ClO2P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3

InChIKey

JQAAUQJMUJWSPY-UHFFFAOYSA-N

Compound name

1-[chloro(methyl)phosphoryl]oxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.02635 Da
Monoisotopic Mass: 1.5
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]+	171.03363	134.8
[M+Na]+	193.01557	143.8
[M-H]-	169.01907	134.4
[M+NH4]+	188.06017	157.2
[M+K]+	208.98951	142.0
[M+H-H2O]+	153.02361	129.7
[M+HCOO]-	215.02455	158.8
[M+CH3COO]-	229.04020	178.5
[M+Na-2H]-	191.00102	139.2
[M]+	170.02580	141.1
[M]-	170.02690	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe