CID 33679719

1017513-51-7

Structural Information

Molecular Formula
C10H5F2NO3
SMILES
C1=CC(=C(C=C1C2=CC(=NO2)C(=O)O)F)F
InChI
InChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKey
GUQAHOANQYNQHL-UHFFFAOYSA-N
Compound name
5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

literature stripe

Patent stripe

patents stripe