CID 43617320

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 152.2
[M+Na]+ 278.95397 156.9
[M+NH4]+ 273.99857 156.3
[M+K]+ 294.92791 157.9
[M-H]- 254.95747 153.3
[M+Na-2H]- 276.93942 155.8
[M]+ 255.96420 152.0
[M]- 255.96530 152.0
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