CID 3849140

2-chloro-5-nitro-3-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

606
Patents

225.9757 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe