CID 138055

4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H4F3N
SMILES
C1=CN=CC=C1C(F)(F)F
InChI
InChI=1S/C6H4F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H
InChIKey
IIYVNMXPYWIJBL-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3007
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 122.6
[M+Na]+ 170.01881 132.0
[M-H]- 146.02231 121.3
[M+NH4]+ 165.06341 142.7
[M+K]+ 185.99275 129.9
[M+H-H2O]+ 130.02685 114.4
[M+HCOO]- 192.02779 142.1
[M+CH3COO]- 206.04344 173.0
[M+Na-2H]- 168.00426 131.4
[M]+ 147.02904 117.8
[M]- 147.03014 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.