CID 83810758

1188143-67-0

Structural Information

Molecular Formula

C₁₀H₄F₃NO₃

SMILES

C1=CC(=C(C(=C1C2=CC(=NO2)C(=O)O)F)F)F

InChI

InChI=1S/C10H4F3NO3/c11-5-2-1-4(8(12)9(5)13)7-3-6(10(15)16)14-17-7/h1-3H,(H,15,16)

InChIKey

MEBOUBLTJXBIPX-UHFFFAOYSA-N

Compound name

5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 243.01433 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]+	244.02161	143.6
[M+Na]+	266.00355	155.2
[M-H]-	242.00705	145.9
[M+NH4]+	261.04815	159.9
[M+K]+	281.97749	152.5
[M+H-H2O]+	226.01159	134.7
[M+HCOO]-	288.01253	163.0
[M+CH3COO]-	302.02818	189.1
[M+Na-2H]-	263.98900	145.9
[M]+	243.01378	142.6
[M]-	243.01488	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe