CID 4296422

31600-73-4

Structural Information

Molecular Formula
C22H38O2P
SMILES
CCCC[P+](CCCC)(CCCC)CCCOC1=CC=CC=C1C=O
InChI
InChI=1S/C22H38O2P/c1-4-7-16-25(17-8-5-2,18-9-6-3)19-12-15-24-22-14-11-10-13-21(22)20-23/h10-11,13-14,20H,4-9,12,15-19H2,1-3H3/q+1
InChIKey
NOOKPRLSYNUDKL-UHFFFAOYSA-N
Compound name
tributyl-[3-(2-formylphenoxy)propyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.26096 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.26824 204.0
[M+Na]+ 388.25018 206.9
[M-H]- 364.25368 204.8
[M+NH4]+ 383.29478 217.1
[M+K]+ 404.22412 197.0
[M+H-H2O]+ 348.25822 196.6
[M+HCOO]- 410.25916 227.9
[M+CH3COO]- 424.27481 215.5
[M+Na-2H]- 386.23563 203.9
[M]+ 365.26041 210.8
[M]- 365.26151 210.8
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

No patent data available for this compound.