CID 20086723

Ethyl 2-fluorothiazole-4-carboxylate

Structural Information

Molecular Formula

C₆H₆FNO₂S

SMILES

CCOC(=O)C1=CSC(=N1)F

InChI

InChI=1S/C6H6FNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

InChIKey

FHEBHTRZQXAHFV-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 175.01033 Da
Monoisotopic Mass: 1.9
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]+	176.017606	131.5
[M+Na]+	197.999548	141.4
[M-H]-	174.003054	133.4
[M+NH4]+	193.044153	153.0
[M+K]+	213.973488	140.1
[M+H-H2O]+	158.007590	125.0
[M+HCOO]-	220.008531	149.9
[M+CH3COO]-	234.024181	176.0
[M+Na-2H]-	195.984996	133.0
[M]+	175.00978142	134.6
[M]-	175.01087858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe