CID 73861

Diphosphoric acid, tetrabutyl ester

Structural Information

Molecular Formula
C16H36O7P2
SMILES
CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OCCCC
InChI
InChI=1S/C16H36O7P2/c1-5-9-13-19-24(17,20-14-10-6-2)23-25(18,21-15-11-7-3)22-16-12-8-4/h5-16H2,1-4H3
InChIKey
BFYHFSGFMZUISQ-UHFFFAOYSA-N
Compound name
dibutyl dibutoxyphosphoryl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

569
Patents

402.19363 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20091 197.4
[M+Na]+ 425.18285 205.4
[M+NH4]+ 420.22745 208.3
[M+K]+ 441.15679 201.5
[M-H]- 401.18635 193.3
[M+Na-2H]- 423.16830 207.6
[M]+ 402.19308 200.9
[M]- 402.19418 200.9
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