CID 78451

Octadecylphosphonic acid

Structural Information

Molecular Formula
C18H39O3P
SMILES
CCCCCCCCCCCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
FTMKAMVLFVRZQX-UHFFFAOYSA-N
Compound name
octadecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

6701
Patents

334.26367 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.27095 189.3
[M+Na]+ 357.25289 194.8
[M+NH4]+ 352.29749 193.1
[M+K]+ 373.22683 188.4
[M-H]- 333.25639 185.4
[M+Na-2H]- 355.23834 187.5
[M]+ 334.26312 188.5
[M]- 334.26422 188.5
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