CID 24225648

5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H7F2NO4
SMILES
C1=CC(=C(C=C1F)F)OCC2=CC(=NO2)C(=O)O
InChI
InChI=1S/C11H7F2NO4/c12-6-1-2-10(8(13)3-6)17-5-7-4-9(11(15)16)14-18-7/h1-4H,5H2,(H,15,16)
InChIKey
MEAKHCHVZCABQN-UHFFFAOYSA-N
Compound name
5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03432 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.041596 148.6
[M+Na]+ 278.023538 158.6
[M-H]- 254.027044 151.8
[M+NH4]+ 273.068143 164.1
[M+K]+ 293.997478 156.8
[M+H-H2O]+ 238.031580 140.0
[M+HCOO]- 300.032521 169.0
[M+CH3COO]- 314.048171 190.2
[M+Na-2H]- 276.008986 151.7
[M]+ 255.03377142 150.1
[M]- 255.03486858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.