CID 28907853

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

Structural Information

Molecular Formula
C8H5Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NON=C2N
InChI
InChI=1S/C8H5Cl2N3O/c9-4-1-2-5(6(10)3-4)7-8(11)13-14-12-7/h1-3H,(H2,11,13)
InChIKey
MHIURJHEDPOTPC-UHFFFAOYSA-N
Compound name
4-(2,4-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98825 145.4
[M+Na]+ 251.97019 157.3
[M-H]- 227.97369 149.6
[M+NH4]+ 247.01479 162.2
[M+K]+ 267.94413 152.6
[M+H-H2O]+ 211.97823 138.4
[M+HCOO]- 273.97917 159.3
[M+CH3COO]- 287.99482 158.6
[M+Na-2H]- 249.95564 150.2
[M]+ 228.98042 148.3
[M]- 228.98152 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.