CID 146035148

2379322-65-1

Structural Information

Molecular Formula
C10H5FN2O
SMILES
C1=CC(=C(C=C1C#N)C2=CN=CO2)F
InChI
InChI=1S/C10H5FN2O/c11-9-2-1-7(4-12)3-8(9)10-5-13-6-14-10/h1-3,5-6H
InChIKey
CWCISGCZWREYSP-UHFFFAOYSA-N
Compound name
4-fluoro-3-(1,3-oxazol-5-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

188.03859 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04587 134.4
[M+Na]+ 211.02781 146.5
[M-H]- 187.03131 138.1
[M+NH4]+ 206.07241 151.1
[M+K]+ 227.00175 143.0
[M+H-H2O]+ 171.03585 119.7
[M+HCOO]- 233.03679 154.0
[M+CH3COO]- 247.05244 147.1
[M+Na-2H]- 209.01326 140.3
[M]+ 188.03804 129.7
[M]- 188.03914 129.7
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