CID 21162963

2-acyloxyethylphosphonate

Structural Information

Molecular Formula
C18H37O5P
SMILES
CCCCCCCCCCCCCCCC(=O)OCCP(=O)(O)O
InChI
InChI=1S/C18H37O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)23-16-17-24(20,21)22/h2-17H2,1H3,(H2,20,21,22)
InChIKey
DBJIDTSPKCDNHE-UHFFFAOYSA-N
Compound name
2-hexadecanoyloxyethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

364.23785 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24513 199.7
[M+Na]+ 387.22707 201.1
[M-H]- 363.23057 193.8
[M+NH4]+ 382.27167 192.1
[M+K]+ 403.20101 198.0
[M+H-H2O]+ 347.23511 190.9
[M+HCOO]- 409.23605 206.3
[M+CH3COO]- 423.25170 213.7
[M+Na-2H]- 385.21252 195.7
[M]+ 364.23730 207.9
[M]- 364.23840 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe