CID 21141079

Schembl2771020

Structural Information

Molecular Formula

C₉H₁₅Cl₆O₃P

SMILES

CCC(OP(OC(CC)(Cl)Cl)OC(CC)(Cl)Cl)(Cl)Cl

InChI

InChI=1S/C9H15Cl6O3P/c1-4-7(10,11)16-19(17-8(12,13)5-2)18-9(14,15)6-3/h4-6H2,1-3H3

InChIKey

PFQSDXLYGCHPFF-UHFFFAOYSA-N

Compound name

tris(1,1-dichloropropyl) phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 411.889 Da
Monoisotopic Mass: 6.5
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]+	412.896276	184.3
[M+Na]+	434.878218	189.8
[M-H]-	410.881724	178.9
[M+NH4]+	429.922823	195.4
[M+K]+	450.852158	186.3
[M+H-H2O]+	394.886260	181.4
[M+HCOO]-	456.887201	176.6
[M+CH3COO]-	470.902851	220.6
[M+Na-2H]-	432.863666	182.1
[M]+	411.88845142	186.4
[M]-	411.88954858	186.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe