CID 12508075

63489-56-5

Structural Information

Molecular Formula

C₅H₂ClF₃N₂

SMILES

C1(=C(C(=C(N=C1N)F)F)Cl)F

InChI

InChI=1S/C5H2ClF3N2/c6-1-2(7)4(9)11-5(10)3(1)8/h(H2,10,11)

InChIKey

WZRMLGNDGPCZFG-UHFFFAOYSA-N

Compound name

4-chloro-3,5,6-trifluoropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.98586 Da
Monoisotopic Mass: 1.8
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]+	182.993136	126.4
[M+Na]+	204.975078	139.3
[M-H]-	180.978584	125.5
[M+NH4]+	200.019683	146.3
[M+K]+	220.949018	134.6
[M+H-H2O]+	164.983120	119.1
[M+HCOO]-	226.984061	143.6
[M+CH3COO]-	240.999711	182.7
[M+Na-2H]-	202.960526	131.0
[M]+	181.98531142	123.7
[M]-	181.98640858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe