CID 20351558

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

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC(=CC(=C1)Cl)C2=NOC(=N2)N
InChI
InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKey
KGKNMVLIWHRBGK-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.01994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 137.9
[M+Na]+ 218.00916 148.8
[M-H]- 194.01266 142.7
[M+NH4]+ 213.05376 155.5
[M+K]+ 233.98310 145.4
[M+H-H2O]+ 178.01720 130.5
[M+HCOO]- 240.01814 157.3
[M+CH3COO]- 254.03379 151.8
[M+Na-2H]- 215.99461 144.5
[M]+ 195.01939 139.6
[M]- 195.02049 139.6
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