CID 89994

Behenyl phosphate

Structural Information

Molecular Formula
C22H47O4P
SMILES
CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C22H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25/h2-22H2,1H3,(H2,23,24,25)
InChIKey
LNTZHXQMPUKVNX-UHFFFAOYSA-N
Compound name
docosyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

674
Patents

406.3212 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.32848 208.9
[M+Na]+ 429.31042 213.0
[M+NH4]+ 424.35502 210.8
[M+K]+ 445.28436 209.4
[M-H]- 405.31392 196.9
[M+Na-2H]- 427.29587 205.6
[M]+ 406.32065 207.6
[M]- 406.32175 207.6
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