CID 83810752

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

Structural Information

Molecular Formula
C10H5F2NO3
SMILES
C1=C(C=C(C=C1F)F)C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C10H5F2NO3/c11-6-1-5(2-7(12)3-6)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
InChIKey
KFXASTQDUFOPGL-UHFFFAOYSA-N
Compound name
3-(3,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03102 148.2
[M+Na]+ 248.01296 159.5
[M+NH4]+ 243.05756 153.8
[M+K]+ 263.98690 156.7
[M-H]- 224.01646 148.2
[M+Na-2H]- 245.99841 152.8
[M]+ 225.02319 149.5
[M]- 225.02429 149.5
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.