CID 19324624

1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC(=O)C1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C10H8N2O2/c1-7(13)10-11-9(12-14-10)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
ITQGVTVDDYRSMS-UHFFFAOYSA-N
Compound name
1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 138.0
[M+Na]+ 211.04780 151.8
[M+NH4]+ 206.09240 145.7
[M+K]+ 227.02174 148.2
[M-H]- 187.05130 141.5
[M+Na-2H]- 209.03325 145.9
[M]+ 188.05803 140.9
[M]- 188.05913 140.9
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

No patent data available for this compound.