CID 22074237

Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium bromide

Structural Information

Molecular Formula
C16H34O2P
SMILES
CCCC[P+](CCCC)(CCCC)CC1OCCO1
InChI
InChI=1S/C16H34O2P/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16/h16H,4-15H2,1-3H3/q+1
InChIKey
UZFMTNNVUZWLQV-UHFFFAOYSA-N
Compound name
tributyl(1,3-dioxolan-2-ylmethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

289.22964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.23692 184.3
[M+Na]+ 312.21886 186.5
[M-H]- 288.22236 186.0
[M+NH4]+ 307.26346 199.4
[M+K]+ 328.19280 181.0
[M+H-H2O]+ 272.22690 178.8
[M+HCOO]- 334.22784 206.0
[M+CH3COO]- 348.24349 198.4
[M+Na-2H]- 310.20431 186.1
[M]+ 289.22909 188.1
[M]- 289.23019 188.1
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