CID 18070416

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

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC=C(C(=C1)CC2=NN=C(O2)N)Cl
InChI
InChI=1S/C9H8ClN3O/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKey
KXMXDIMDUQXAPN-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 142.5
[M+Na]+ 232.02480 153.0
[M-H]- 208.02830 147.2
[M+NH4]+ 227.06940 159.6
[M+K]+ 247.99874 149.4
[M+H-H2O]+ 192.03284 134.9
[M+HCOO]- 254.03378 161.6
[M+CH3COO]- 268.04943 156.0
[M+Na-2H]- 230.01025 148.6
[M]+ 209.03503 144.6
[M]- 209.03613 144.6
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