CID 5082050

2,4-diphenyl-(1,3,2,4)dioxadiphosphetane 2,4-dioxide

Structural Information

Molecular Formula
C12H10O4P2
SMILES
C1=CC=C(C=C1)P2(=O)OP(=O)(O2)C3=CC=CC=C3
InChI
InChI=1S/C12H10O4P2/c13-17(11-7-3-1-4-8-11)15-18(14,16-17)12-9-5-2-6-10-12/h1-10H
InChIKey
NIQPVHVCPGEQAO-UHFFFAOYSA-N
Compound name
2,4-diphenyl-1,3,2lambda5,4lambda5-dioxadiphosphetane 2,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.00543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.012706 156.6
[M+Na]+ 302.994648 164.4
[M-H]- 278.998154 165.8
[M+NH4]+ 298.039253 167.9
[M+K]+ 318.968588 167.8
[M+H-H2O]+ 263.002690 140.8
[M+HCOO]- 325.003631 188.6
[M+CH3COO]- 339.019281 198.8
[M+Na-2H]- 300.980096 160.8
[M]+ 280.00488142 168.8
[M]- 280.00597858 168.8
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