CID 62563

Ditridecyl hydrogen phosphate

Structural Information

Molecular Formula
C26H55O4P
SMILES
CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC
InChI
InChI=1S/C26H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,27,28)
InChIKey
XEJNLUBEFCNORG-UHFFFAOYSA-N
Compound name
ditridecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1956
Patents

462.3838 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39108 225.9
[M+Na]+ 485.37302 227.7
[M+NH4]+ 480.41762 226.5
[M+K]+ 501.34696 224.9
[M-H]- 461.37652 210.3
[M+Na-2H]- 483.35847 226.8
[M]+ 462.38325 221.7
[M]- 462.38435 221.7
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