CID 135591017

3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ol

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC=C(C(=C1)C2=NOC(=O)N2)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChIKey
KICRLMZFAZGWTM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

196.00395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 135.7
[M+Na]+ 218.99317 150.9
[M+NH4]+ 214.03777 143.7
[M+K]+ 234.96711 146.5
[M-H]- 194.99667 139.0
[M+Na-2H]- 216.97862 143.6
[M]+ 196.00340 139.0
[M]- 196.00450 139.0
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