CID 11248060

1-(2,2,2-trifluoroethyl)-4-methylpyridinium

Structural Information

Molecular Formula
C8H9F3N
SMILES
CC1=CC=[N+](C=C1)CC(F)(F)F
InChI
InChI=1S/C8H9F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2-5H,6H2,1H3/q+1
InChIKey
IRUGCXXVGUORCY-UHFFFAOYSA-N
Compound name
4-methyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 131.7
[M+Na]+ 199.05793 141.2
[M-H]- 175.06143 130.8
[M+NH4]+ 194.10253 150.7
[M+K]+ 215.03187 133.3
[M+H-H2O]+ 159.06597 126.2
[M+HCOO]- 221.06691 150.3
[M+CH3COO]- 235.08256 173.6
[M+Na-2H]- 197.04338 141.1
[M]+ 176.06816 126.8
[M]- 176.06926 126.8
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