CID 101092

59609-12-0

Structural Information

Molecular Formula
C17H18O6P2
SMILES
C1C2(COP(=O)(O1)C3=CC=CC=C3)COP(=O)(OC2)C4=CC=CC=C4
InChI
InChI=1S/C17H18O6P2/c18-24(15-7-3-1-4-8-15)20-11-17(12-21-24)13-22-25(19,23-14-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
HIQVPYIASZNBGR-UHFFFAOYSA-N
Compound name
3,9-diphenyl-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.05786 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06514 189.6
[M+Na]+ 403.04708 195.1
[M-H]- 379.05058 200.4
[M+NH4]+ 398.09168 201.3
[M+K]+ 419.02102 198.6
[M+H-H2O]+ 363.05512 175.1
[M+HCOO]- 425.05606 213.7
[M+CH3COO]- 439.07171 212.7
[M+Na-2H]- 401.03253 192.3
[M]+ 380.05731 188.6
[M]- 380.05841 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe