CID 71093737

1415836-74-6

Structural Information

Molecular Formula
C11H5FN2O3
SMILES
C1=CC(=C(C=C1C#N)F)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C11H5FN2O3/c12-8-3-6(5-13)1-2-7(8)10-4-9(11(15)16)14-17-10/h1-4H,(H,15,16)
InChIKey
AORACRVNQSJTHC-UHFFFAOYSA-N
Compound name
5-(4-cyano-2-fluorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

232.02843 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03571 146.0
[M+Na]+ 255.01765 157.8
[M-H]- 231.02115 148.9
[M+NH4]+ 250.06225 160.4
[M+K]+ 270.99159 154.4
[M+H-H2O]+ 215.02569 131.4
[M+HCOO]- 277.02663 163.6
[M+CH3COO]- 291.04228 198.2
[M+Na-2H]- 253.00310 149.2
[M]+ 232.02788 141.6
[M]- 232.02898 141.6
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