CID 151251909

Ns00114956

Structural Information

Molecular Formula
C8H9F3N
SMILES
C1=CC=[N+](C=C1)CCC(F)(F)F
InChI
InChI=1S/C8H9F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7H2/q+1
InChIKey
NSMXUXUWPNRQEN-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoropropyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06871 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07599 132.3
[M+Na]+ 199.05793 140.8
[M-H]- 175.06143 131.0
[M+NH4]+ 194.10253 151.0
[M+K]+ 215.03187 132.9
[M+H-H2O]+ 159.06597 126.5
[M+HCOO]- 221.06691 150.9
[M+CH3COO]- 235.08256 172.6
[M+Na-2H]- 197.04338 142.3
[M]+ 176.06816 127.1
[M]- 176.06926 127.1
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.