CID 54055193

4-benzoyl-1,3-oxazole

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=COC=N2
InChI
InChI=1S/C10H7NO2/c12-10(9-6-13-7-11-9)8-4-2-1-3-5-8/h1-7H
InChIKey
LVSZVEDQGDOCBQ-UHFFFAOYSA-N
Compound name
1,3-oxazol-4-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.04768 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 132.9
[M+Na]+ 196.03690 141.3
[M-H]- 172.04040 139.3
[M+NH4]+ 191.08150 151.9
[M+K]+ 212.01084 140.4
[M+H-H2O]+ 156.04494 126.0
[M+HCOO]- 218.04588 156.9
[M+CH3COO]- 232.06153 176.6
[M+Na-2H]- 194.02235 140.2
[M]+ 173.04713 134.0
[M]- 173.04823 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

No literature data available for this compound.

Patent stripe

patents stripe