CID 82662236

5-bromo-1,2-benzoxazole-3-carbonitrile

Structural Information

Molecular Formula
C8H3BrN2O
SMILES
C1=CC2=C(C=C1Br)C(=NO2)C#N
InChI
InChI=1S/C8H3BrN2O/c9-5-1-2-8-6(3-5)7(4-10)11-12-8/h1-3H
InChIKey
RPCZBOXOZBXXRX-UHFFFAOYSA-N
Compound name
5-bromo-1,2-benzoxazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.94289 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95017 141.4
[M+Na]+ 244.93211 146.9
[M+NH4]+ 239.97671 144.1
[M+K]+ 260.90605 144.5
[M-H]- 220.93561 136.8
[M+Na-2H]- 242.91756 142.9
[M]+ 221.94234 139.2
[M]- 221.94344 139.2
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

No patent data available for this compound.