CID 14761443

2-methyl-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H6F3N
SMILES
CC1=C(C=CC=N1)C(F)(F)F
InChI
InChI=1S/C7H6F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h2-4H,1H3
InChIKey
NUSPNQIVLCBYAP-UHFFFAOYSA-N
Compound name
2-methyl-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

501
Patents

161.04523 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.052506 127.0
[M+Na]+ 184.034448 136.9
[M-H]- 160.037954 125.9
[M+NH4]+ 179.079053 146.8
[M+K]+ 200.008388 134.5
[M+H-H2O]+ 144.042490 118.8
[M+HCOO]- 206.043431 146.1
[M+CH3COO]- 220.059081 177.1
[M+Na-2H]- 182.019896 134.5
[M]+ 161.04468142 122.9
[M]- 161.04577858 122.9
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