CID 3048406

63905-95-3

Structural Information

Molecular Formula

C₅H₃Br₂NS

SMILES

C1=C(C(=S)C(=CN1)Br)Br

InChI

InChI=1S/C5H3Br2NS/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)

InChIKey

PQQIPLGAPDGVEO-UHFFFAOYSA-N

Compound name

3,5-dibromo-1H-pyridine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.8353 Da
Monoisotopic Mass: 2.5
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]+	267.84258	114.4
[M+Na]+	289.82452	128.0
[M-H]-	265.82802	120.3
[M+NH4]+	284.86912	134.3
[M+K]+	305.79846	110.9
[M+H-H2O]+	249.83256	123.8
[M+HCOO]-	311.83350	126.6
[M+CH3COO]-	325.84915	194.9
[M+Na-2H]-	287.80997	122.5
[M]+	266.83475	148.3
[M]-	266.83585	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.