CID 607248

3-chloro-5-(trifluoromethyl)-2-pyridinamine

Structural Information

Molecular Formula
C6H4ClF3N2
SMILES
C1=C(C=NC(=C1Cl)N)C(F)(F)F
InChI
InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey
WXNPZQIRDCDLJD-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

697
Patents

196.00151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.008786 132.3
[M+Na]+ 218.990728 143.4
[M-H]- 194.994234 130.9
[M+NH4]+ 214.035333 151.2
[M+K]+ 234.964668 138.8
[M+H-H2O]+ 178.998770 124.8
[M+HCOO]- 240.999711 147.6
[M+CH3COO]- 255.015361 183.1
[M+Na-2H]- 216.976176 138.4
[M]+ 196.00096142 128.5
[M]- 196.00205858 128.5
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