CID 72212296

5-chloro-2-(trifluoromethyl)pyridin-4-amine

Structural Information

Molecular Formula
C6H4ClF3N2
SMILES
C1=C(C(=CN=C1C(F)(F)F)Cl)N
InChI
InChI=1S/C6H4ClF3N2/c7-3-2-12-5(1-4(3)11)6(8,9)10/h1-2H,(H2,11,12)
InChIKey
JWQRIFDUIJXNNB-UHFFFAOYSA-N
Compound name
5-chloro-2-(trifluoromethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00151 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00879 132.3
[M+Na]+ 218.99073 143.4
[M-H]- 194.99423 130.9
[M+NH4]+ 214.03533 151.2
[M+K]+ 234.96467 138.8
[M+H-H2O]+ 178.99877 124.8
[M+HCOO]- 240.99971 147.6
[M+CH3COO]- 255.01536 183.1
[M+Na-2H]- 216.97618 138.4
[M]+ 196.00096 128.5
[M]- 196.00206 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.