CID 725239

4-(5-bromothiophen-2-yl)thiazol-2-amine

Structural Information

Molecular Formula

C₇H₅BrN₂S₂

SMILES

C1=C(SC(=C1)Br)C2=CSC(=N2)N

InChI

InChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)

InChIKey

MMZHPDCFNLBMBY-UHFFFAOYSA-N

Compound name

4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 259.90775 Da
Monoisotopic Mass: 3.0
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]+	260.91503	132.2
[M+Na]+	282.89697	135.1
[M+NH4]+	277.94157	138.5
[M+K]+	298.87091	135.2
[M-H]-	258.90047	134.8
[M+Na-2H]-	280.88242	136.5
[M]+	259.90720	133.0
[M]-	259.90830	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe