CID 43617319

2-(2-bromo-4-fluorophenyl)-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C9H6BrFN2O
SMILES
CC1=NN=C(O1)C2=C(C=C(C=C2)F)Br
InChI
InChI=1S/C9H6BrFN2O/c1-5-12-13-9(14-5)7-3-2-6(11)4-8(7)10/h2-4H,1H3
InChIKey
KAOVVGDWLMIXQR-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-fluorophenyl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.96475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97203 144.8
[M+Na]+ 278.95397 159.4
[M-H]- 254.95747 151.9
[M+NH4]+ 273.99857 163.9
[M+K]+ 294.92791 149.3
[M+H-H2O]+ 238.96201 143.3
[M+HCOO]- 300.96295 165.0
[M+CH3COO]- 314.97860 160.6
[M+Na-2H]- 276.93942 151.8
[M]+ 255.96420 164.8
[M]- 255.96530 164.8
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

No patent data available for this compound.