CID 19885491

1167056-77-0

Structural Information

Molecular Formula

C₄H₂FNO₂S

SMILES

C1=C(SC(=N1)F)C(=O)O

InChI

InChI=1S/C4H2FNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)

InChIKey

GFFAXZZAXYPCMP-UHFFFAOYSA-N

Compound name

2-fluoro-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 146.97903 Da
Monoisotopic Mass: 1.2
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]+	147.98631	122.7
[M+Na]+	169.96825	132.9
[M-H]-	145.97175	123.4
[M+NH4]+	165.01285	144.5
[M+K]+	185.94219	131.1
[M+H-H2O]+	129.97629	116.8
[M+HCOO]-	191.97723	140.2
[M+CH3COO]-	205.99288	168.0
[M+Na-2H]-	167.95370	124.8
[M]+	146.97848	123.3
[M]-	146.97958	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe