CID 24278454

1017452-64-0

Structural Information

Molecular Formula

C₁₀H₅F₂NO₂S

SMILES

C1=CC(=C(C(=C1)F)C2=NC(=CS2)C(=O)O)F

InChI

InChI=1S/C10H5F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)

InChIKey

OTYUISIBOBUOEO-UHFFFAOYSA-N

Compound name

2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 241.0009 Da
Monoisotopic Mass: 2.7
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]+	242.00818	144.9
[M+Na]+	263.99012	155.9
[M-H]-	239.99362	147.8
[M+NH4]+	259.03472	163.1
[M+K]+	279.96406	151.3
[M+H-H2O]+	223.99816	137.1
[M+HCOO]-	285.99910	161.1
[M+CH3COO]-	300.01475	186.6
[M+Na-2H]-	261.97557	144.7
[M]+	241.00035	145.1
[M]-	241.00145	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe