CID 70641

1076-59-1

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C(=NOC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
IHKNLPPRTQQACK-UHFFFAOYSA-N
Compound name
3-phenyl-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

740
Patents

161.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 130.8
[M+Na]+ 184.03690 144.6
[M+NH4]+ 179.08150 139.6
[M+K]+ 200.01084 140.2
[M-H]- 160.04040 135.2
[M+Na-2H]- 182.02235 138.9
[M]+ 161.04713 134.0
[M]- 161.04823 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe