CID 3069787

85162-11-4

Structural Information

Molecular Formula

C₁₅H₁₀FNO₃S

SMILES

C1=CC(=CC=C1C2=NC(=C(O2)C3=CSC=C3)CC(=O)O)F

InChI

InChI=1S/C15H10FNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19)

InChIKey

SCEWIPICHQDLEK-UHFFFAOYSA-N

Compound name

2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 303.03653 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]+	304.04381	167.2
[M+Na]+	326.02575	180.2
[M+NH4]+	321.07035	174.4
[M+K]+	341.99969	175.8
[M-H]-	302.02925	171.3
[M+Na-2H]-	324.01120	174.0
[M]+	303.03598	170.6
[M]-	303.03708	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe