CID 13783981

2-octadecoxyethyl dihydrogen phosphate

Structural Information

Molecular Formula
C20H43O5P
SMILES
CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)O
InChI
InChI=1S/C20H43O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25-26(21,22)23/h2-20H2,1H3,(H2,21,22,23)
InChIKey
JOIFGFCERYSPEC-UHFFFAOYSA-N
Compound name
2-octadecoxyethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

94
Patents

394.28482 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.29210 202.8
[M+Na]+ 417.27404 206.9
[M+NH4]+ 412.31864 207.4
[M+K]+ 433.24798 205.2
[M-H]- 393.27754 193.9
[M+Na-2H]- 415.25949 199.6
[M]+ 394.28427 201.3
[M]- 394.28537 201.3
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