CID 85813076

Ns00114931

Structural Information

Molecular Formula
C18H31F9N
SMILES
CCCC[N+](CCCC)(CCCC)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H31F9N/c1-4-7-11-28(12-8-5-2,13-9-6-3)14-10-15(19,20)16(21,22)17(23,24)18(25,26)27/h4-14H2,1-3H3/q+1
InChIKey
VWODYIFWWHAACY-UHFFFAOYSA-N
Compound name
tributyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2313 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23858 203.7
[M+Na]+ 455.22052 210.9
[M-H]- 431.22402 202.3
[M+NH4]+ 450.26512 207.8
[M+K]+ 471.19446 212.5
[M+H-H2O]+ 415.22856 185.8
[M+HCOO]- 477.22950 224.5
[M+CH3COO]- 491.24515 230.8
[M+Na-2H]- 453.20597 199.4
[M]+ 432.23075 202.1
[M]- 432.23185 202.1
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.