CID 514147

Acetic acid, phosphono-, heptadecyl ester

Structural Information

Molecular Formula
C19H39O5P
SMILES
CCCCCCCCCCCCCCCCCOC(=O)CP(=O)(O)O
InChI
InChI=1S/C19H39O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19(20)18-25(21,22)23/h2-18H2,1H3,(H2,21,22,23)
InChIKey
GUSFMDRXUJLJOZ-UHFFFAOYSA-N
Compound name
(2-heptadecoxy-2-oxoethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.2535 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.26078 204.2
[M+Na]+ 401.24272 205.2
[M-H]- 377.24622 187.3
[M+NH4]+ 396.28732 195.8
[M+K]+ 417.21666 201.9
[M+H-H2O]+ 361.25076 195.2
[M+HCOO]- 423.25170 209.6
[M+CH3COO]- 437.26735 216.6
[M+Na-2H]- 399.22817 199.8
[M]+ 378.25295 194.9
[M]- 378.25405 194.9
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

No patent data available for this compound.