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
4
Annotation Hits

0
References

593
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 201.0
[M+Na]+ 425.18285 204.8
[M-H]- 401.18635 194.5
[M+NH4]+ 420.22745 206.0
[M+K]+ 441.15679 198.1
[M+H-H2O]+ 385.19089 186.1
[M+HCOO]- 447.19183 221.3
[M+CH3COO]- 461.20748 224.4
[M+Na-2H]- 423.16830 186.8
[M]+ 402.19308 201.0
[M]- 402.19418 201.0
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