CID 117837

Dioctyl dihydrogen diphosphate

Structural Information

Molecular Formula
C16H36O7P2
SMILES
CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC
InChI
InChI=1S/C16H36O7P2/c1-3-5-7-9-11-13-15-21-24(17,18)23-25(19,20)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
UMHKOAYRTRADAT-UHFFFAOYSA-N
Compound name
[hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8554
Patents

402.19363 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20091 198.9
[M+Na]+ 425.18285 201.8
[M+NH4]+ 420.22745 203.1
[M+K]+ 441.15679 197.6
[M-H]- 401.18635 190.0
[M+Na-2H]- 423.16830 203.8
[M]+ 402.19308 196.8
[M]- 402.19418 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe