CID 61229256

64007-61-0

Structural Information

Molecular Formula

C₅H₅BrN₂S

SMILES

C1=C(C(=S)NC=C1Br)N

InChI

InChI=1S/C5H5BrN2S/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)

InChIKey

CQMJOLDROOGWCU-UHFFFAOYSA-N

Compound name

3-amino-5-bromo-1H-pyridine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.93568 Da
Monoisotopic Mass: 0.7
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]+	204.94296	121.9
[M+Na]+	226.92490	125.2
[M+NH4]+	221.96950	127.2
[M+K]+	242.89884	124.4
[M-H]-	202.92840	122.7
[M+Na-2H]-	224.91035	125.9
[M]+	203.93513	121.7
[M]-	203.93623	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe