CID 116553

Hexacosyl phosphate

Structural Information

Molecular Formula
C26H55O4P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C26H55O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29/h2-26H2,1H3,(H2,27,28,29)
InChIKey
JFVBBNIZHDGXAA-UHFFFAOYSA-N
Compound name
hexacosyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

462.3838 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39108 222.9
[M+Na]+ 485.37302 225.0
[M-H]- 461.37652 207.3
[M+NH4]+ 480.41762 218.6
[M+K]+ 501.34696 222.4
[M+H-H2O]+ 445.38106 212.3
[M+HCOO]- 507.38200 234.0
[M+CH3COO]- 521.39765 236.0
[M+Na-2H]- 483.35847 205.7
[M]+ 462.38325 220.0
[M]- 462.38435 220.0
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