CID 75530544

1246466-65-8

Structural Information

Molecular Formula

C₅H₄F₃N₃S

SMILES

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

InChI

InChI=1S/C5H4F3N3S/c6-5(7,8)12-4-2-1-3(9)10-11-4/h1-2H,(H2,9,10)

InChIKey

MJNSWCCOBRJAJK-UHFFFAOYSA-N

Compound name

6-(trifluoromethylsulfanyl)pyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.0078 Da
Monoisotopic Mass: 1.6
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]+	196.015076	132.5
[M+Na]+	217.997018	142.6
[M-H]-	194.000524	129.6
[M+NH4]+	213.041623	149.4
[M+K]+	233.970958	138.7
[M+H-H2O]+	178.005060	123.3
[M+HCOO]-	240.006001	146.1
[M+CH3COO]-	254.021651	181.6
[M+Na-2H]-	215.982466	136.9
[M]+	195.00725142	128.6
[M]-	195.00834858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe