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]+ 226.031016 141.1
[M+Na]+ 248.012958 151.7
[M-H]- 224.016464 144.4
[M+NH4]+ 243.057563 157.9
[M+K]+ 263.986898 149.5
[M+H-H2O]+ 208.021000 132.9
[M+HCOO]- 270.021941 161.6
[M+CH3COO]- 284.037591 185.0
[M+Na-2H]- 245.998406 144.7
[M]+ 225.02319142 140.8
[M]- 225.02428858 140.8
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.