CID 2577541

794554-74-8

Structural Information

Molecular Formula

C₁₁H₈FNO₂S

SMILES

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

InChI

InChI=1S/C11H8FNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)

InChIKey

UCYWUSDJNCOTDP-UHFFFAOYSA-N

Compound name

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 237.02597 Da
Monoisotopic Mass: 2.2
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]+	238.03325	147.7
[M+Na]+	260.01519	157.4
[M-H]-	236.01869	151.5
[M+NH4]+	255.05979	165.9
[M+K]+	275.98913	153.1
[M+H-H2O]+	220.02323	140.4
[M+HCOO]-	282.02417	164.6
[M+CH3COO]-	296.03982	185.7
[M+Na-2H]-	258.00064	148.2
[M]+	237.02542	148.9
[M]-	237.02652	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.