CID 88843

1,4-bis(diethoxyphosphoryl)benzene

Structural Information

Molecular Formula
C14H24O6P2
SMILES
CCOP(=O)(C1=CC=C(C=C1)P(=O)(OCC)OCC)OCC
InChI
InChI=1S/C14H24O6P2/c1-5-17-21(15,18-6-2)13-9-11-14(12-10-13)22(16,19-7-3)20-8-4/h9-12H,5-8H2,1-4H3
InChIKey
KNUANRUJDWJWGY-UHFFFAOYSA-N
Compound name
1,4-bis(diethoxyphosphoryl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

350.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.112076 184.4
[M+Na]+ 373.094018 190.1
[M-H]- 349.097524 185.3
[M+NH4]+ 368.138623 198.6
[M+K]+ 389.067958 190.1
[M+H-H2O]+ 333.102060 173.1
[M+HCOO]- 395.103001 215.8
[M+CH3COO]- 409.118651 213.2
[M+Na-2H]- 371.079466 185.5
[M]+ 350.10425142 195.3
[M]- 350.10534858 195.3
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