CID 9275

Bis(2-ethylhexyl) hydrogen phosphate

Structural Information

Molecular Formula
C16H35O4P
SMILES
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
InChI
InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
InChIKey
SEGLCEQVOFDUPX-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

100
References

23469
Patents

322.2273 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23458 189.4
[M+Na]+ 345.21652 191.8
[M-H]- 321.22002 185.5
[M+NH4]+ 340.26112 187.3
[M+K]+ 361.19046 190.5
[M+H-H2O]+ 305.22456 181.1
[M+HCOO]- 367.22550 197.9
[M+CH3COO]- 381.24115 210.6
[M+Na-2H]- 343.20197 185.5
[M]+ 322.22675 197.6
[M]- 322.22785 197.6
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.