CID 88587

20544-37-0

Structural Information

Molecular Formula
C19H22O6P2
SMILES
C1C2(COP(=O)(O1)CC3=CC=CC=C3)COP(=O)(OC2)CC4=CC=CC=C4
InChI
InChI=1S/C19H22O6P2/c20-26(11-17-7-3-1-4-8-17)22-13-19(14-23-26)15-24-27(21,25-16-19)12-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
XRBKIMPIQSGVAO-UHFFFAOYSA-N
Compound name
3,9-dibenzyl-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

408.08917 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09645 198.8
[M+Na]+ 431.07839 203.4
[M-H]- 407.08189 209.1
[M+NH4]+ 426.12299 209.3
[M+K]+ 447.05233 206.5
[M+H-H2O]+ 391.08643 183.8
[M+HCOO]- 453.08737 222.2
[M+CH3COO]- 467.10302 218.3
[M+Na-2H]- 429.06384 200.4
[M]+ 408.08862 198.3
[M]- 408.08972 198.3
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

patents stripe