CID 22380051

4-chloro-5-nitro-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2ClF3N2O2
SMILES
C1=C(C(=CN=C1C(F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H2ClF3N2O2/c7-3-1-5(6(8,9)10)11-2-4(3)12(13)14/h1-2H
InChIKey
VBVLYVRVIUJULO-UHFFFAOYSA-N
Compound name
4-chloro-5-nitro-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

225.9757 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.982976 134.9
[M+Na]+ 248.964918 145.4
[M-H]- 224.968424 134.0
[M+NH4]+ 244.009523 152.1
[M+K]+ 264.938858 137.8
[M+H-H2O]+ 208.972960 132.2
[M+HCOO]- 270.973901 151.1
[M+CH3COO]- 284.989551 180.2
[M+Na-2H]- 246.950366 143.3
[M]+ 225.97515142 131.9
[M]- 225.97624858 131.9
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