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 221.9
[M+Na]+ 603.00362 225.2
[M-H]- 579.00712 222.7
[M+NH4]+ 598.04822 231.1
[M+K]+ 618.97756 223.1
[M+H-H2O]+ 563.01166 213.3
[M+HCOO]- 625.01260 234.5
[M+CH3COO]- 639.02825 237.2
[M+Na-2H]- 600.98907 215.9
[M]+ 580.01385 237.4
[M]- 580.01495 237.4
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.