CID 23438643

380380-59-6

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
CC1=NN=C(O1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H6BrN3O/c1-5-11-12-8(13-5)7-3-2-6(9)4-10-7/h2-4H,1H3
InChIKey
HYRVBOIHTWDVTQ-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

238.96942 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.976696 139.5
[M+Na]+ 261.958638 153.6
[M-H]- 237.962144 146.4
[M+NH4]+ 257.003243 157.8
[M+K]+ 277.932578 144.1
[M+H-H2O]+ 221.966680 138.2
[M+HCOO]- 283.967621 159.8
[M+CH3COO]- 297.983271 155.3
[M+Na-2H]- 259.944086 148.3
[M]+ 238.96887142 160.3
[M]- 238.96996858 160.3
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