CID 81228

6749-73-1

Structural Information

Molecular Formula

C₉H₁₅Cl₆O₃P

SMILES

C(C(CCl)OP(OC(CCl)CCl)OC(CCl)CCl)Cl

InChI

InChI=1S/C9H15Cl6O3P/c10-1-7(2-11)16-19(17-8(3-12)4-13)18-9(5-14)6-15/h7-9H,1-6H2

InChIKey

ZAEFNQVGOJSYDQ-UHFFFAOYSA-N

Compound name

tris(1,3-dichloropropan-2-yl) phosphite

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 411.889 Da
Monoisotopic Mass: 3.8
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]+	412.89628	175.0
[M+Na]+	434.87822	179.3
[M-H]-	410.88172	168.6
[M+NH4]+	429.92282	185.9
[M+K]+	450.85216	175.9
[M+H-H2O]+	394.88626	172.7
[M+HCOO]-	456.88720	169.4
[M+CH3COO]-	470.90285	221.3
[M+Na-2H]-	432.86367	168.1
[M]+	411.88845	177.6
[M]-	411.88955	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe