CID 62501533

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

Structural Information

Molecular Formula
C8H5Cl2N3O
SMILES
C1=CC(=C(C=C1C2=NON=C2N)Cl)Cl
InChI
InChI=1S/C8H5Cl2N3O/c9-5-2-1-4(3-6(5)10)7-8(11)13-14-12-7/h1-3H,(H2,11,13)
InChIKey
PABLAQMULABYGS-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.98097 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.988246 145.4
[M+Na]+ 251.970188 157.3
[M-H]- 227.973694 149.6
[M+NH4]+ 247.014793 162.2
[M+K]+ 267.944128 152.6
[M+H-H2O]+ 211.978230 138.4
[M+HCOO]- 273.979171 159.3
[M+CH3COO]- 287.994821 158.6
[M+Na-2H]- 249.955636 150.2
[M]+ 228.98042142 148.3
[M]- 228.98151858 148.3
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

No patent data available for this compound.