CID 132571638

1982380-97-1

Structural Information

Molecular Formula

C₅H₅F₅N₂S

SMILES

C1=CC(=NC=C1S(F)(F)(F)(F)F)N

InChI

InChI=1S/C5H5F5N2S/c6-13(7,8,9,10)4-1-2-5(11)12-3-4/h1-3H,(H2,11,12)

InChIKey

AFTHSQWRAXBXQY-UHFFFAOYSA-N

Compound name

5-(pentafluoro-lambda6-sulfanyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 220.00935 Da
Monoisotopic Mass: 3.8
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]+	221.01663	127.6
[M+Na]+	242.99857	138.6
[M-H]-	219.00207	124.1
[M+NH4]+	238.04317	145.1
[M+K]+	258.97251	134.2
[M+H-H2O]+	203.00661	118.2
[M+HCOO]-	265.00755	140.9
[M+CH3COO]-	279.02320	186.1
[M+Na-2H]-	240.98402	129.3
[M]+	220.00880	121.0
[M]-	220.00990	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe