CID 67245

Dipentite

Structural Information

Molecular Formula
C17H18O6P2
SMILES
C1C2(COP(O1)OC3=CC=CC=C3)COP(OC2)OC4=CC=CC=C4
InChI
InChI=1S/C17H18O6P2/c1-3-7-15(8-4-1)22-24-18-11-17(12-19-24)13-20-25(21-14-17)23-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
SDCYWERHEYVPHL-UHFFFAOYSA-N
Compound name
3,9-diphenoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

321
Patents

380.05786 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06514 193.6
[M+Na]+ 403.04708 196.2
[M-H]- 379.05058 203.5
[M+NH4]+ 398.09168 201.2
[M+K]+ 419.02102 199.8
[M+H-H2O]+ 363.05512 178.6
[M+HCOO]- 425.05606 217.4
[M+CH3COO]- 439.07171 214.4
[M+Na-2H]- 401.03253 193.5
[M]+ 380.05731 192.7
[M]- 380.05841 192.7
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