CID 607248

79456-26-1

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

1
Annotation Hits: 5
References: 500
Patents: 196.00151 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.00879	134.8
[M+Na]+	218.99073	144.8
[M+NH4]+	214.03533	140.9
[M+K]+	234.96467	139.8
[M-H]-	194.99423	132.1
[M+Na-2H]-	216.97618	139.9
[M]+	196.00096	135.4
[M]-	196.00206	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe