CID 28063072

5-bromo-2-pyridin-3-yl-1,3-benzoxazole

Structural Information

Molecular Formula
C12H7BrN2O
SMILES
C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C12H7BrN2O/c13-9-3-4-11-10(6-9)15-12(16-11)8-2-1-5-14-7-8/h1-7H
InChIKey
XXVXIUHYSJGBIB-UHFFFAOYSA-N
Compound name
5-bromo-2-pyridin-3-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

273.97418 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98146 152.0
[M+Na]+ 296.96340 159.2
[M+NH4]+ 292.00800 157.7
[M+K]+ 312.93734 159.1
[M-H]- 272.96690 155.7
[M+Na-2H]- 294.94885 158.1
[M]+ 273.97363 153.2
[M]- 273.97473 153.2
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