CID 4613739

Chlorotripyrrolidinophosphonium hexafluorophosphate

Structural Information

Molecular Formula
C12H24ClN3P
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Cl
InChI
InChI=1S/C12H24ClN3P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16/h1-12H2/q+1
InChIKey
FPCYGBNBXWIKGJ-UHFFFAOYSA-N
Compound name
chloro(tripyrrolidin-1-yl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

276.13965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14693 168.9
[M+Na]+ 299.12887 170.4
[M-H]- 275.13237 171.9
[M+NH4]+ 294.17347 185.6
[M+K]+ 315.10281 163.2
[M+H-H2O]+ 259.13691 159.3
[M+HCOO]- 321.13785 182.9
[M+CH3COO]- 335.15350 187.9
[M+Na-2H]- 297.11432 165.1
[M]+ 276.13910 160.6
[M]- 276.14020 160.6
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