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]+ 210.042856 142.5
[M+Na]+ 232.024798 153.0
[M-H]- 208.028304 147.2
[M+NH4]+ 227.069403 159.6
[M+K]+ 247.998738 149.4
[M+H-H2O]+ 192.032840 134.9
[M+HCOO]- 254.033781 161.6
[M+CH3COO]- 268.049431 156.0
[M+Na-2H]- 230.010246 148.6
[M]+ 209.03503142 144.6
[M]- 209.03612858 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

No patent data available for this compound.