CID 15158

Ethyl dichlorophosphate

Structural Information

Molecular Formula

C₂H₅Cl₂O₂P

SMILES

CCOP(=O)(Cl)Cl

InChI

InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3

InChIKey

YZBOZNXACBQJHI-UHFFFAOYSA-N

Compound name

1-dichlorophosphoryloxyethane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 1589
Patents: 161.94041 Da
Monoisotopic Mass: 1.4
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]+	162.94769	124.5
[M+Na]+	184.92963	135.1
[M-H]-	160.93313	124.2
[M+NH4]+	179.97423	147.5
[M+K]+	200.90357	132.3
[M+H-H2O]+	144.93767	120.8
[M+HCOO]-	206.93861	144.3
[M+CH3COO]-	220.95426	174.3
[M+Na-2H]-	182.91508	130.0
[M]+	161.93986	130.3
[M]-	161.94096	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe