CID 136199

Trifluoromethylpyridine

Structural Information

Molecular Formula
C6H4F3N
SMILES
C1=CC=NC(=C1)C(F)(F)F
InChI
InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H
InChIKey
ATRQECRSCHYSNP-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

8844
Patents

147.02959 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.036866 122.6
[M+Na]+ 170.018808 132.0
[M-H]- 146.022314 121.3
[M+NH4]+ 165.063413 142.7
[M+K]+ 185.992748 129.9
[M+H-H2O]+ 130.026850 114.4
[M+HCOO]- 192.027791 142.1
[M+CH3COO]- 206.043441 173.0
[M+Na-2H]- 168.004256 131.4
[M]+ 147.02904142 117.8
[M]- 147.03013858 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe