CID 16783084

5-(2-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO4
SMILES
COC1=CC(=C(C=C1)C2=CC(=NO2)C(=O)O)F
InChI
InChI=1S/C11H8FNO4/c1-16-6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKey
JJOTVYNDKCWFOX-UHFFFAOYSA-N
Compound name
5-(2-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

237.04373 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05101 145.9
[M+Na]+ 260.03295 156.0
[M-H]- 236.03645 150.5
[M+NH4]+ 255.07755 162.3
[M+K]+ 276.00689 154.6
[M+H-H2O]+ 220.04099 138.4
[M+HCOO]- 282.04193 167.4
[M+CH3COO]- 296.05758 187.5
[M+Na-2H]- 258.01840 149.7
[M]+ 237.04318 148.6
[M]- 237.04428 148.6
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