CID 11116982

1711-61-1

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC(=CC=C1C2=NNC(=O)O2)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKey
IBXCIADJXVFGAL-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

94
Patents

196.00395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.011226 135.4
[M+Na]+ 218.993168 147.0
[M-H]- 194.996674 139.5
[M+NH4]+ 214.037773 152.8
[M+K]+ 234.967108 143.2
[M+H-H2O]+ 179.001210 128.6
[M+HCOO]- 241.002151 153.3
[M+CH3COO]- 255.017801 149.5
[M+Na-2H]- 216.978616 142.2
[M]+ 196.00340142 137.7
[M]- 196.00449858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe