CID 122368

Bis(2-ethylhexyl) 2-hydroxyethyl phosphate

Structural Information

Molecular Formula
C18H39O5P
SMILES
CCCCC(CC)COP(=O)(OCCO)OCC(CC)CCCC
InChI
InChI=1S/C18H39O5P/c1-5-9-11-17(7-3)15-22-24(20,21-14-13-19)23-16-18(8-4)12-10-6-2/h17-19H,5-16H2,1-4H3
InChIKey
GFQMBVPKXZQUHJ-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 2-hydroxyethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

366.2535 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.26078 200.9
[M+Na]+ 389.24272 202.2
[M-H]- 365.24622 187.9
[M+NH4]+ 384.28732 198.5
[M+K]+ 405.21666 201.1
[M+H-H2O]+ 349.25076 192.0
[M+HCOO]- 411.25170 207.6
[M+CH3COO]- 425.26735 218.5
[M+Na-2H]- 387.22817 196.3
[M]+ 366.25295 195.8
[M]- 366.25405 195.8
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