CID 3650883

37566-39-5

Structural Information

Molecular Formula

C₂H₂BrN₃S

SMILES

C1(=NN=C(S1)Br)N

InChI

InChI=1S/C2H2BrN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)

InChIKey

GLYQQFBHCFPEEU-UHFFFAOYSA-N

Compound name

5-bromo-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 721
Patents: 178.91528 Da
Monoisotopic Mass: 1.0
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]+	179.92256	121.0
[M+Na]+	201.90450	122.9
[M+NH4]+	196.94910	126.1
[M+K]+	217.87844	124.1
[M-H]-	177.90800	120.8
[M+Na-2H]-	199.88995	123.8
[M]+	178.91473	120.2
[M]-	178.91583	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe