CID 77202

3643-70-7

Structural Information

Molecular Formula

C₅H₈Cl₂O₄P₂

SMILES

C1C2(COP(O1)Cl)COP(OC2)Cl

InChI

InChI=1S/C5H8Cl2O4P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2

InChIKey

KHUMEUDRBMWIBR-UHFFFAOYSA-N

Compound name

3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 143
Patents: 263.9275 Da
Monoisotopic Mass: 1.1
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]+	264.93478	148.9
[M+Na]+	286.91672	160.6
[M+NH4]+	281.96132	158.4
[M+K]+	302.89066	154.7
[M-H]-	262.92022	155.5
[M+Na-2H]-	284.90217	152.7
[M]+	263.92695	153.0
[M]-	263.92805	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe