CID 16682822

74038-45-2

Structural Information

Molecular Formula
C18H30Cl2O7PSb
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)OC)O[Sb](OCC(C)Cl)OCC(C)Cl)OCC
InChI
InChI=1S/C12H18O5P.2C3H6ClO.Sb/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10;2*1-3(4)2-5;/h6-9,12H,4-5H2,1-3H3;2*3H,2H2,1H3;/q3*-1;+3
InChIKey
LKAOXHZLUXAYIC-UHFFFAOYSA-N
Compound name
bis(2-chloropropyl) [diethoxyphosphoryl-(4-methoxyphenyl)methyl] stiborite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.0144 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.02168 217.3
[M+Na]+ 603.00362 224.5
[M+NH4]+ 598.04822 220.1
[M+K]+ 618.97756 220.4
[M-H]- 579.00712 214.3
[M+Na-2H]- 600.98907 216.9
[M]+ 580.01385 217.6
[M]- 580.01495 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.