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

680
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 216.6
[M+Na]+ 429.31042 211.2
[M-H]- 405.31392 194.3
[M+NH4]+ 424.35502 204.2
[M+K]+ 445.28436 211.7
[M+H-H2O]+ 389.31846 207.0
[M+HCOO]- 451.31940 221.0
[M+CH3COO]- 465.33505 224.3
[M+Na-2H]- 427.29587 211.6
[M]+ 406.32065 205.9
[M]- 406.32175 205.9
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