CID 13139

Diethyl chlorophosphate

Structural Information

Molecular Formula

C₄H₁₀ClO₃P

SMILES

CCOP(=O)(OCC)Cl

InChI

InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

InChIKey

LGTLXDJOAJDFLR-UHFFFAOYSA-N

Compound name

1-[chloro(ethoxy)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 55
References: 10079
Patents: 172.00562 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]+	173.012896	132.2
[M+Na]+	194.994838	141.5
[M-H]-	170.998344	132.0
[M+NH4]+	190.039443	154.5
[M+K]+	210.968778	140.5
[M+H-H2O]+	155.002880	127.1
[M+HCOO]-	217.003821	156.8
[M+CH3COO]-	231.019471	177.4
[M+Na-2H]-	192.980286	137.4
[M]+	172.00507142	139.6
[M]-	172.00616858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe