CID 156600041

Ns00114936

Structural Information

Molecular Formula
C15H27F3N3
SMILES
CCCCCCCCCC[N+]1=CN(N=C1)CCC(F)(F)F
InChI
InChI=1S/C15H27F3N3/c1-2-3-4-5-6-7-8-9-11-20-13-19-21(14-20)12-10-15(16,17)18/h13-14H,2-12H2,1H3/q+1
InChIKey
PFLBTZDUXKLESB-UHFFFAOYSA-N
Compound name
4-decyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2157 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22298 174.0
[M+Na]+ 329.20492 180.3
[M-H]- 305.20842 168.9
[M+NH4]+ 324.24952 186.8
[M+K]+ 345.17886 170.7
[M+H-H2O]+ 289.21296 165.3
[M+HCOO]- 351.21390 188.3
[M+CH3COO]- 365.22955 200.2
[M+Na-2H]- 327.19037 177.5
[M]+ 306.21515 173.3
[M]- 306.21625 173.3
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.