CID 118670

5-(4-fluorophenyl)oxazol-2(3h)-one

Structural Information

Molecular Formula
C9H6FNO2
SMILES
C1=CC(=CC=C1C2=CNC(=O)O2)F
InChI
InChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)8-5-11-9(12)13-8/h1-5H,(H,11,12)
InChIKey
QJBUNLZRKNJBPY-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03825 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 130.9
[M+Na]+ 202.02747 141.5
[M-H]- 178.03097 135.3
[M+NH4]+ 197.07207 149.6
[M+K]+ 218.00141 138.9
[M+H-H2O]+ 162.03551 123.8
[M+HCOO]- 224.03645 153.7
[M+CH3COO]- 238.05210 175.1
[M+Na-2H]- 200.01292 137.5
[M]+ 179.03770 130.2
[M]- 179.03880 130.2
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