CID 19034801

2-nitro-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3F3N2O2
SMILES
C1=CC(=C(N=C1)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-1-3-10-5(4)11(12)13/h1-3H
InChIKey
YVTKBICRIROREK-UHFFFAOYSA-N
Compound name
2-nitro-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.01466 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.021936 129.6
[M+Na]+ 215.003878 138.8
[M-H]- 191.007384 128.8
[M+NH4]+ 210.048483 147.2
[M+K]+ 230.977818 132.9
[M+H-H2O]+ 175.011920 125.9
[M+HCOO]- 237.012861 150.5
[M+CH3COO]- 251.028511 175.2
[M+Na-2H]- 212.989326 139.2
[M]+ 192.01411142 124.2
[M]- 192.01520858 124.2
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