CID 118670

34375-81-0

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

1
Patents

179.03825 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.045526 130.9
[M+Na]+ 202.027468 141.5
[M-H]- 178.030974 135.3
[M+NH4]+ 197.072073 149.6
[M+K]+ 218.001408 138.9
[M+H-H2O]+ 162.035510 123.8
[M+HCOO]- 224.036451 153.7
[M+CH3COO]- 238.052101 175.1
[M+Na-2H]- 200.012916 137.5
[M]+ 179.03770142 130.2
[M]- 179.03879858 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