CID 699727

330196-49-1

Structural Information

Molecular Formula

C₆H₅BrN₂S

SMILES

C1=CSC2=NC(=CN21)CBr

InChI

InChI=1S/C6H5BrN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2

InChIKey

VMKPKJCYGJDZBF-UHFFFAOYSA-N

Compound name

6-(bromomethyl)imidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.93568 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]+	216.94296	129.2
[M+Na]+	238.92490	146.0
[M-H]-	214.92840	135.9
[M+NH4]+	233.96950	155.0
[M+K]+	254.89884	135.7
[M+H-H2O]+	198.93294	130.6
[M+HCOO]-	260.93388	148.6
[M+CH3COO]-	274.94953	146.9
[M+Na-2H]-	236.91035	135.6
[M]+	215.93513	152.5
[M]-	215.93623	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe