CID 68282677

3-(4-bromophenyl)-5-cyclopropyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
C1CC1C2=NC(=NO2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C11H9BrN2O/c12-9-5-3-7(4-6-9)10-13-11(15-14-10)8-1-2-8/h3-6,8H,1-2H2
InChIKey
HDHGYXYBVVTOCR-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5-cyclopropyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

263.98984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99712 153.0
[M+Na]+ 286.97906 167.6
[M-H]- 262.98256 164.2
[M+NH4]+ 282.02366 167.0
[M+K]+ 302.95300 157.1
[M+H-H2O]+ 246.98710 151.5
[M+HCOO]- 308.98804 174.0
[M+CH3COO]- 323.00369 167.9
[M+Na-2H]- 284.96451 160.0
[M]+ 263.98929 174.2
[M]- 263.99039 174.2
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