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 189.4
[M+Na]+ 431.07839 201.9
[M+NH4]+ 426.12299 199.7
[M+K]+ 447.05233 191.3
[M-H]- 407.08189 199.8
[M+Na-2H]- 429.06384 199.1
[M]+ 408.08862 194.6
[M]- 408.08972 194.6
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

patents stripe