CID 3054162

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

Structural Information

Molecular Formula
C9H7Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)CC2=NC(=NO2)N)Cl
InChI
InChI=1S/C9H7Cl2N3O/c10-6-1-2-7(11)5(3-6)4-8-13-9(12)14-15-8/h1-3H,4H2,(H2,12,14)
InChIKey
KLWCPNQAHRBFAG-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.99661 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.003886 150.0
[M+Na]+ 265.985828 161.5
[M-H]- 241.989334 154.1
[M+NH4]+ 261.030433 166.2
[M+K]+ 281.959768 156.6
[M+H-H2O]+ 225.993870 142.8
[M+HCOO]- 287.994811 163.6
[M+CH3COO]- 302.010461 162.8
[M+Na-2H]- 263.971276 154.3
[M]+ 242.99606142 153.3
[M]- 242.99715858 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

No literature data available for this compound.

Patent stripe

patents stripe