CID 2759102

134670-30-7

Structural Information

Molecular Formula

C₁₂H₇FN₂OS

SMILES

C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=O)F

InChI

InChI=1S/C12H7FN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H

InChIKey

NMJLTWCGJYJVDO-UHFFFAOYSA-N

Compound name

6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 246.0263 Da
Monoisotopic Mass: 3.4
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]+	247.03358	149.6
[M+Na]+	269.01552	163.6
[M-H]-	245.01902	155.7
[M+NH4]+	264.06012	170.5
[M+K]+	284.98946	158.6
[M+H-H2O]+	229.02356	142.6
[M+HCOO]-	291.02450	169.7
[M+CH3COO]-	305.04015	164.1
[M+Na-2H]-	267.00097	151.4
[M]+	246.02575	154.8
[M]-	246.02685	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe