CID 70700711

1221403-87-7

Structural Information

Molecular Formula

C₁₁H₈FNO₂S

SMILES

COC(=O)C1=CSC(=N1)C2=CC=CC=C2F

InChI

InChI=1S/C11H8FNO2S/c1-15-11(14)9-6-16-10(13-9)7-4-2-3-5-8(7)12/h2-6H,1H3

InChIKey

NBPRZFGLEWZSRB-UHFFFAOYSA-N

Compound name

methyl 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 237.02597 Da
Monoisotopic Mass: 2.9
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]+	238.03325	147.7
[M+Na]+	260.01519	158.0
[M-H]-	236.01869	153.0
[M+NH4]+	255.05979	166.8
[M+K]+	275.98913	154.6
[M+H-H2O]+	220.02323	140.2
[M+HCOO]-	282.02417	166.2
[M+CH3COO]-	296.03982	187.6
[M+Na-2H]-	258.00064	148.6
[M]+	237.02542	150.7
[M]-	237.02652	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe