CID 6328376

Dihexoxy(oxo)phosphanium

Structural Information

Molecular Formula
C12H26O3P
SMILES
CCCCCCO[P+](=O)OCCCCCC
InChI
InChI=1S/C12H26O3P/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKey
SSTHNOXIGJRLAF-UHFFFAOYSA-N
Compound name
dihexoxy(oxo)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

917
Patents

249.16196 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16924 167.0
[M+Na]+ 272.15118 171.5
[M-H]- 248.15468 165.4
[M+NH4]+ 267.19578 184.8
[M+K]+ 288.12512 165.3
[M+H-H2O]+ 232.15922 161.6
[M+HCOO]- 294.16016 193.6
[M+CH3COO]- 308.17581 191.4
[M+Na-2H]- 270.13663 168.4
[M]+ 249.16141 174.0
[M]- 249.16251 174.0
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