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

2
Patents

222.0196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.026876 143.8
[M+Na]+ 245.008818 154.7
[M-H]- 221.012324 149.1
[M+NH4]+ 240.053423 160.8
[M+K]+ 260.982758 151.8
[M+H-H2O]+ 205.016860 136.5
[M+HCOO]- 267.017801 161.6
[M+CH3COO]- 281.033451 185.4
[M+Na-2H]- 242.994266 148.9
[M]+ 222.01905142 148.1
[M]- 222.02014858 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

patents stripe