CID 43805469

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

Structural Information

Molecular Formula
C8H5BrClN3O
SMILES
C1=CC(=C(C=C1Br)Cl)C2=NN=C(O2)N
InChI
InChI=1S/C8H5BrClN3O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
XTEOJKTVXAELNO-UHFFFAOYSA-N
Compound name
5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.93045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93773 147.4
[M+Na]+ 295.91967 162.1
[M-H]- 271.92317 155.1
[M+NH4]+ 290.96427 166.0
[M+K]+ 311.89361 150.1
[M+H-H2O]+ 255.92771 146.3
[M+HCOO]- 317.92865 164.6
[M+CH3COO]- 331.94430 162.8
[M+Na-2H]- 293.90512 154.3
[M]+ 272.92990 168.0
[M]- 272.93100 168.0
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.