CID 83382779

2-bromo-5-(pyridin-4-yl)oxazole

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CN=CC=C1C2=CN=C(O2)Br
InChI
InChI=1S/C8H5BrN2O/c9-8-11-5-7(12-8)6-1-3-10-4-2-6/h1-5H
InChIKey
UYHMTORKIWFNKE-UHFFFAOYSA-N
Compound name
2-bromo-5-pyridin-4-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.95853 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 136.5
[M+Na]+ 246.94775 149.7
[M-H]- 222.95125 144.4
[M+NH4]+ 241.99235 156.4
[M+K]+ 262.92169 140.5
[M+H-H2O]+ 206.95579 135.8
[M+HCOO]- 268.95673 158.1
[M+CH3COO]- 282.97238 152.7
[M+Na-2H]- 244.93320 146.1
[M]+ 223.95798 156.4
[M]- 223.95908 156.4
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.