CID 6327799

19047-85-9

Structural Information

Molecular Formula
C36H74O3P
SMILES
CCCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H74O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1
InChIKey
OKXAFOJPRGDZPB-UHFFFAOYSA-N
Compound name
dioctadecoxy(oxo)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4155
Patents

585.53754 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.54482 264.9
[M+Na]+ 608.52676 267.1
[M-H]- 584.53026 245.3
[M+NH4]+ 603.57136 263.7
[M+K]+ 624.50070 266.0
[M+H-H2O]+ 568.53480 253.2
[M+HCOO]- 630.53574 275.5
[M+CH3COO]- 644.55139 261.4
[M+Na-2H]- 606.51221 244.7
[M]+ 585.53699 261.0
[M]- 585.53809 261.0
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