CID 247502

25598-37-2

Structural Information

Molecular Formula

C₉H₁₇Cl₂O₃P

SMILES

CC(CCl)OP(=O)(C(=C)C)OC(C)CCl

InChI

InChI=1S/C9H17Cl2O3P/c1-7(2)15(12,13-8(3)5-10)14-9(4)6-11/h8-9H,1,5-6H2,2-4H3

InChIKey

PJGXGWAVWGEORR-UHFFFAOYSA-N

Compound name

1-chloro-2-[1-chloropropan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 274.02924 Da
Monoisotopic Mass: 2.4
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]+	275.03652	156.0
[M+Na]+	297.01846	163.6
[M-H]-	273.02196	155.2
[M+NH4]+	292.06306	174.6
[M+K]+	312.99240	160.2
[M+H-H2O]+	257.02650	151.6
[M+HCOO]-	319.02744	171.6
[M+CH3COO]-	333.04309	198.3
[M+Na-2H]-	295.00391	155.0
[M]+	274.02869	163.8
[M]-	274.02979	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe