CID 6327512

Ditridecyl phosphonate

Structural Information

Molecular Formula
C26H54O3P
SMILES
CCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCC
InChI
InChI=1S/C26H54O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3/q+1
InChIKey
ACMVLJBSYFHILY-UHFFFAOYSA-N
Compound name
oxo-di(tridecoxy)phosphanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

635
Patents

445.38104 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.38832 228.7
[M+Na]+ 468.37026 232.9
[M-H]- 444.37376 213.0
[M+NH4]+ 463.41486 227.9
[M+K]+ 484.34420 227.6
[M+H-H2O]+ 428.37830 218.3
[M+HCOO]- 490.37924 243.2
[M+CH3COO]- 504.39489 232.9
[M+Na-2H]- 466.35571 213.1
[M]+ 445.38049 225.8
[M]- 445.38159 225.8
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