CID 4736950

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

623
Patents

225.9757 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98298 134.9
[M+Na]+ 248.96492 145.4
[M-H]- 224.96842 134.0
[M+NH4]+ 244.00952 152.1
[M+K]+ 264.93886 137.8
[M+H-H2O]+ 208.97296 132.2
[M+HCOO]- 270.97390 151.1
[M+CH3COO]- 284.98955 180.2
[M+Na-2H]- 246.95037 143.3
[M]+ 225.97515 131.9
[M]- 225.97625 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