CID 667712

7120-13-0

Structural Information

Molecular Formula

C₁₁H₇BrN₂S

SMILES

C1=CC(=CC=C1C2=CN3C=CSC3=N2)Br

InChI

InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-7H

InChIKey

GIARQEDFNKBIQY-UHFFFAOYSA-N

Compound name

6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 277.95132 Da
Monoisotopic Mass: 4.2
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]+	278.95860	145.7
[M+Na]+	300.94054	162.5
[M-H]-	276.94404	155.6
[M+NH4]+	295.98514	169.1
[M+K]+	316.91448	150.9
[M+H-H2O]+	260.94858	146.8
[M+HCOO]-	322.94952	165.1
[M+CH3COO]-	336.96517	162.6
[M+Na-2H]-	298.92599	151.0
[M]+	277.95077	168.9
[M]-	277.95187	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe