CID 63346526

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-one

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
CC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H7ClN2O2/c1-6(14)10-12-9(13-15-10)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKey
ZGZUJOZTQAHRIW-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 143.8
[M+Na]+ 245.00882 154.7
[M-H]- 221.01232 149.1
[M+NH4]+ 240.05342 160.8
[M+K]+ 260.98276 151.8
[M+H-H2O]+ 205.01686 136.5
[M+HCOO]- 267.01780 161.6
[M+CH3COO]- 281.03345 185.4
[M+Na-2H]- 242.99427 148.9
[M]+ 222.01905 148.1
[M]- 222.02015 148.1
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

No patent data available for this compound.