CID 22456639

354795-48-5

Structural Information

Molecular Formula

C₆H₄F₃NO₃

SMILES

CC1=C(C(=NO1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C6H4F3NO3/c1-2-3(5(11)12)4(10-13-2)6(7,8)9/h1H3,(H,11,12)

InChIKey

NKEMTGNAWYMKQA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 195.01433 Da
Monoisotopic Mass: 1.2
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]+	196.02161	143.6
[M+Na]+	218.00355	150.9
[M+NH4]+	213.04815	147.3
[M+K]+	233.97749	150.2
[M-H]-	194.00705	138.8
[M+Na-2H]-	215.98900	144.3
[M]+	195.01378	142.7
[M]-	195.01488	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe