CID 6335864

Diisotridecyl phosphonate

Structural Information

Molecular Formula
C26H54O3P
SMILES
CC(C)CCCCCCCCCCO[P+](=O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C26H54O3P/c1-25(2)21-17-13-9-5-7-11-15-19-23-28-30(27)29-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3/q+1
InChIKey
XBDBIQSNODOCIR-UHFFFAOYSA-N
Compound name
bis(11-methyldodecoxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

445.38104 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.38832 226.8
[M+Na]+ 468.37026 232.0
[M-H]- 444.37376 214.2
[M+NH4]+ 463.41486 229.2
[M+K]+ 484.34420 227.7
[M+H-H2O]+ 428.37830 217.6
[M+HCOO]- 490.37924 236.7
[M+CH3COO]- 504.39489 234.0
[M+Na-2H]- 466.35571 212.6
[M]+ 445.38049 224.1
[M]- 445.38159 224.1
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