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

17
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 150.1
[M+Na]+ 260.03295 162.1
[M+NH4]+ 255.07755 156.1
[M+K]+ 276.00689 159.7
[M-H]- 236.03645 151.4
[M+Na-2H]- 258.01840 155.2
[M]+ 237.04318 151.9
[M]- 237.04428 151.9
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