CID 20080682

26836-28-2

Structural Information

Molecular Formula
C16H36O7P2
SMILES
CCCCC(CC)COP(=O)(OCC(CC)CCCC)OP(=O)(O)O
InChI
InChI=1S/C16H36O7P2/c1-5-9-11-15(7-3)13-21-25(20,23-24(17,18)19)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H2,17,18,19)
InChIKey
BDIZXIOWAPGQTJ-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) phosphono phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

402.19363 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20091 196.7
[M+Na]+ 425.18285 199.5
[M-H]- 401.18635 192.4
[M+NH4]+ 420.22745 200.3
[M+K]+ 441.15679 193.8
[M+H-H2O]+ 385.19089 180.5
[M+HCOO]- 447.19183 209.0
[M+CH3COO]- 461.20748 220.9
[M+Na-2H]- 423.16830 182.3
[M]+ 402.19308 194.5
[M]- 402.19418 194.5
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