CID 62501534

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

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
C1=CC(=CC(=C1)Br)C2=NON=C2N
InChI
InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKey
TVNCBEDFBBBGLP-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.96942 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 141.2
[M+Na]+ 261.95864 154.2
[M-H]- 237.96214 148.8
[M+NH4]+ 257.00324 160.0
[M+K]+ 277.93258 144.0
[M+H-H2O]+ 221.96668 139.7
[M+HCOO]- 283.96762 163.0
[M+CH3COO]- 297.98327 156.7
[M+Na-2H]- 259.94409 149.4
[M]+ 238.96887 159.8
[M]- 238.96997 159.8
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.