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]+ 256.04160 148.6
[M+Na]+ 278.02354 158.6
[M-H]- 254.02704 151.8
[M+NH4]+ 273.06814 164.1
[M+K]+ 293.99748 156.8
[M+H-H2O]+ 238.03158 140.0
[M+HCOO]- 300.03252 169.0
[M+CH3COO]- 314.04817 190.2
[M+Na-2H]- 276.00899 151.7
[M]+ 255.03377 150.1
[M]- 255.03487 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.