CID 563183

Tetrabenzyl pyrophosphate

Structural Information

Molecular Formula
C28H28O7P2
SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C28H28O7P2/c29-36(31-21-25-13-5-1-6-14-25,32-22-26-15-7-2-8-16-26)35-37(30,33-23-27-17-9-3-10-18-27)34-24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
NSBNXCZCLRBQTA-UHFFFAOYSA-N
Compound name
dibenzyl bis(phenylmethoxy)phosphoryl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1369
Patents

538.13104 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.13832 228.9
[M+Na]+ 561.12026 229.1
[M-H]- 537.12376 236.8
[M+NH4]+ 556.16486 231.9
[M+K]+ 577.09420 227.0
[M+H-H2O]+ 521.12830 210.8
[M+HCOO]- 583.12924 257.6
[M+CH3COO]- 597.14489 242.9
[M+Na-2H]- 559.10571 229.2
[M]+ 538.13049 233.8
[M]- 538.13159 233.8
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