CID 82299072

2-bromo-5-(4-methoxyphenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)Br
InChI
InChI=1S/C9H7BrN2O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3
InChIKey
OXBLGMQKKFGHTI-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-methoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.96909 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 143.7
[M+Na]+ 276.95831 157.2
[M-H]- 252.96181 151.8
[M+NH4]+ 272.00291 162.6
[M+K]+ 292.93225 148.1
[M+H-H2O]+ 236.96635 142.7
[M+HCOO]- 298.96729 165.1
[M+CH3COO]- 312.98294 159.6
[M+Na-2H]- 274.94376 152.0
[M]+ 253.96854 165.6
[M]- 253.96964 165.6
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

patents stripe