CID 356899

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

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC(=CC=C1C2=NN=C(O2)N)Cl
InChI
InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
ZMWWZXSPDQIWAZ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

45
Patents

195.01994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 137.0
[M+Na]+ 218.00916 151.6
[M+NH4]+ 213.05376 145.5
[M+K]+ 233.98310 147.1
[M-H]- 194.01266 141.6
[M+Na-2H]- 215.99461 145.3
[M]+ 195.01939 140.6
[M]- 195.02049 140.6
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