CID 62830877

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

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
C1=CC=C(C(=C1)C2=NON=C2N)Br
InChI
InChI=1S/C8H6BrN3O/c9-6-4-2-1-3-5(6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKey
KKPOQICSZWAIDH-UHFFFAOYSA-N
Compound name
4-(2-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]+ 239.976696 141.2
[M+Na]+ 261.958638 154.2
[M-H]- 237.962144 148.8
[M+NH4]+ 257.003243 160.0
[M+K]+ 277.932578 144.0
[M+H-H2O]+ 221.966680 139.7
[M+HCOO]- 283.967621 163.0
[M+CH3COO]- 297.983271 156.7
[M+Na-2H]- 259.944086 149.4
[M]+ 238.96887142 159.8
[M]- 238.96996858 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

literature stripe

Patent stripe

No patent data available for this compound.