CID 77417

3-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3803
Patents

147.02959 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03687 130.4
[M+Na]+ 170.01881 140.7
[M+NH4]+ 165.06341 136.9
[M+K]+ 185.99275 135.1
[M-H]- 146.02231 127.6
[M+Na-2H]- 168.00426 136.3
[M]+ 147.02904 130.8
[M]- 147.03014 130.8
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