CID 2793751

1498-46-0

Structural Information

Molecular Formula

C₃H₇Cl₂OP

SMILES

CC(C)P(=O)(Cl)Cl

InChI

InChI=1S/C3H7Cl2OP/c1-3(2)7(4,5)6/h3H,1-2H3

InChIKey

KLHAQQISVPLKAI-UHFFFAOYSA-N

Compound name

2-dichlorophosphorylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 159.96115 Da
Monoisotopic Mass: 1.7
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]+	160.968426	126.3
[M+Na]+	182.950368	136.3
[M-H]-	158.953874	125.9
[M+NH4]+	177.994973	149.3
[M+K]+	198.924308	133.2
[M+H-H2O]+	142.958410	122.7
[M+HCOO]-	204.959351	144.6
[M+CH3COO]-	218.975001	176.1
[M+Na-2H]-	180.935816	130.0
[M]+	159.96060142	130.5
[M]-	159.96169858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe