CID 43150133

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 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
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

patents stripe