CID 7131928

875858-80-3

Structural Information

Molecular Formula

C₁₀H₆FNOS

SMILES

C1=CC(=CC=C1C2=NC(=CS2)C=O)F

InChI

InChI=1S/C10H6FNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H

InChIKey

JICLYSLZMLTUSP-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1,3-thiazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 207.01541 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]+	208.02269	139.1
[M+Na]+	230.00463	150.3
[M-H]-	206.00813	144.4
[M+NH4]+	225.04923	159.5
[M+K]+	245.97857	146.1
[M+H-H2O]+	190.01267	131.8
[M+HCOO]-	252.01361	158.7
[M+CH3COO]-	266.02926	153.3
[M+Na-2H]-	227.99008	141.4
[M]+	207.01486	141.0
[M]-	207.01596	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe