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]+ 269.98726 148.4
[M+Na]+ 291.96920 161.6
[M-H]- 267.97270 156.2
[M+NH4]+ 287.01380 166.2
[M+K]+ 307.94314 151.7
[M+H-H2O]+ 251.97724 146.6
[M+HCOO]- 313.97818 170.0
[M+CH3COO]- 327.99383 193.8
[M+Na-2H]- 289.95465 155.4
[M]+ 268.97943 168.9
[M]- 268.98053 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.