CID 24705190

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

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
COC1=CC(=C(C=C1)Br)C2=NN=C(O2)N
InChI
InChI=1S/C9H8BrN3O2/c1-14-5-2-3-7(10)6(4-5)8-12-13-9(11)15-8/h2-4H,1H3,(H2,11,13)
InChIKey
AHDKBAAUCAFYKT-UHFFFAOYSA-N
Compound name
5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97998 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.987256 148.4
[M+Na]+ 291.969198 161.6
[M-H]- 267.972704 156.2
[M+NH4]+ 287.013803 166.2
[M+K]+ 307.943138 151.7
[M+H-H2O]+ 251.977240 146.6
[M+HCOO]- 313.978181 170.0
[M+CH3COO]- 327.993831 193.8
[M+Na-2H]- 289.954646 155.4
[M]+ 268.97943142 168.9
[M]- 268.98052858 168.9
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.