CID 43625022

1153767-25-9

Structural Information

Molecular Formula

C₆H₅F₃N₂S

SMILES

C1=CC(=NC=C1N)SC(F)(F)F

InChI

InChI=1S/C6H5F3N2S/c7-6(8,9)12-5-2-1-4(10)3-11-5/h1-3H,10H2

InChIKey

ZQKBYZVCPRATNE-UHFFFAOYSA-N

Compound name

6-(trifluoromethylsulfanyl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 194.01256 Da
Monoisotopic Mass: 2.2
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]+	195.01984	132.4
[M+Na]+	217.00178	142.0
[M-H]-	193.00528	130.9
[M+NH4]+	212.04638	150.8
[M+K]+	232.97572	138.2
[M+H-H2O]+	177.00982	123.8
[M+HCOO]-	239.01076	147.0
[M+CH3COO]-	253.02641	181.9
[M+Na-2H]-	214.98723	136.3
[M]+	194.01201	128.5
[M]-	194.01311	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe