CID 2743127

1,2,4-oxadiazol-3-amine, 5-((2,6-dichlorophenyl)methyl)-

Structural Information

Molecular Formula
C9H7Cl2N3O
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC(=NO2)N)Cl
InChI
InChI=1S/C9H7Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8-13-9(12)14-15-8/h1-3H,4H2,(H2,12,14)
InChIKey
DXAYHBRZHFYCBA-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

242.99661 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00389 150.0
[M+Na]+ 265.98583 161.5
[M-H]- 241.98933 154.1
[M+NH4]+ 261.03043 166.2
[M+K]+ 281.95977 156.6
[M+H-H2O]+ 225.99387 142.8
[M+HCOO]- 287.99481 163.6
[M+CH3COO]- 302.01046 162.8
[M+Na-2H]- 263.97128 154.3
[M]+ 242.99606 153.3
[M]- 242.99716 153.3
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