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 137.1
[M+Na]+ 211.04780 146.4
[M-H]- 187.05130 142.4
[M+NH4]+ 206.09240 154.4
[M+K]+ 227.02174 145.3
[M+H-H2O]+ 171.05584 129.3
[M+HCOO]- 233.05678 159.7
[M+CH3COO]- 247.07243 180.5
[M+Na-2H]- 209.03325 143.5
[M]+ 188.05803 139.1
[M]- 188.05913 139.1
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