CID 44148543

Triphosphoric acid, decyl ester, sodium salt

Structural Information

Molecular Formula
C10H25O10P3
SMILES
CCCCCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H25O10P3/c1-2-3-4-5-6-7-8-9-10-18-22(14,15)20-23(16,17)19-21(11,12)13/h2-10H2,1H3,(H,14,15)(H,16,17)(H2,11,12,13)
InChIKey
XUMOGKFHAVXQSW-UHFFFAOYSA-N
Compound name
[decoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.06607 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07335 190.1
[M+Na]+ 421.05529 188.9
[M-H]- 397.05879 188.3
[M+NH4]+ 416.09989 190.5
[M+K]+ 437.02923 179.9
[M+H-H2O]+ 381.06333 163.3
[M+HCOO]- 443.06427 207.4
[M+CH3COO]- 457.07992 210.8
[M+Na-2H]- 419.04074 172.5
[M]+ 398.06552 186.4
[M]- 398.06662 186.4
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

No patent data available for this compound.