CID 132967160

1477495-11-6

Structural Information

Molecular Formula

C₉H₁₉Cl₂O₅P

SMILES

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

InChI

InChI=1S/C9H19Cl2O5P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9,12H,4-6H2,1-3H3

InChIKey

AUUWEOBTRZWTTC-UHFFFAOYSA-N

Compound name

bis(1-chloropropan-2-yl) 1-hydroxypropan-2-yl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 308.03473 Da
Monoisotopic Mass: 1.3
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]+	309.04201	161.7
[M+Na]+	331.02395	168.2
[M-H]-	307.02745	159.4
[M+NH4]+	326.06855	178.1
[M+K]+	346.99789	165.9
[M+H-H2O]+	291.03199	157.1
[M+HCOO]-	353.03293	176.1
[M+CH3COO]-	367.04858	200.6
[M+Na-2H]-	329.00940	160.6
[M]+	308.03418	171.1
[M]-	308.03528	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe