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

43
Patents

263.98984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.997116 153.0
[M+Na]+ 286.979058 167.6
[M-H]- 262.982564 164.2
[M+NH4]+ 282.023663 167.0
[M+K]+ 302.952998 157.1
[M+H-H2O]+ 246.987100 151.5
[M+HCOO]- 308.988041 174.0
[M+CH3COO]- 323.003691 167.9
[M+Na-2H]- 284.964506 160.0
[M]+ 263.98929142 174.2
[M]- 263.99038858 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