CID 79022543

1188054-32-1

Structural Information

Molecular Formula

C₁₀H₅F₂NO₃

SMILES

C1=CC(=C(C(=C1)F)C2=CC(=NO2)C(=O)O)F

InChI

InChI=1S/C10H5F2NO3/c11-5-2-1-3-6(12)9(5)8-4-7(10(14)15)13-16-8/h1-4H,(H,14,15)

InChIKey

VRHQYKYGNSOSOS-UHFFFAOYSA-N

Compound name

5-(2,6-difluorophenyl)-1,2-oxazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 225.02374 Da
Monoisotopic Mass: 2.1
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]+	226.03102	141.1
[M+Na]+	248.01296	151.7
[M-H]-	224.01646	144.4
[M+NH4]+	243.05756	157.9
[M+K]+	263.98690	149.5
[M+H-H2O]+	208.02100	132.9
[M+HCOO]-	270.02194	161.6
[M+CH3COO]-	284.03759	185.0
[M+Na-2H]-	245.99841	144.7
[M]+	225.02319	140.8
[M]-	225.02429	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe