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: 9
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]+	238.033246	147.7
[M+Na]+	260.015188	158.0
[M-H]-	236.018694	153.0
[M+NH4]+	255.059793	166.8
[M+K]+	275.989128	154.6
[M+H-H2O]+	220.023230	140.2
[M+HCOO]-	282.024171	166.2
[M+CH3COO]-	296.039821	187.6
[M+Na-2H]-	258.000636	148.6
[M]+	237.02542142	150.7
[M]-	237.02651858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe