CID 356890

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

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC(=CC=C1CC2=NN=C(O2)N)Cl
InChI
InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKey
CSYAPQQQRVPGKN-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.03558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04286 141.6
[M+Na]+ 232.02480 156.0
[M+NH4]+ 227.06940 150.0
[M+K]+ 247.99874 151.3
[M-H]- 208.02830 146.2
[M+Na-2H]- 230.01025 149.7
[M]+ 209.03503 145.2
[M]- 209.03613 145.2
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.