CID 68432705

5-(5-bromofuran-2-yl)-1,3-oxazole

Structural Information

Molecular Formula
C7H4BrNO2
SMILES
C1=C(OC(=C1)Br)C2=CN=CO2
InChI
InChI=1S/C7H4BrNO2/c8-7-2-1-5(11-7)6-3-9-4-10-6/h1-4H
InChIKey
KWENLTSXERCRMW-UHFFFAOYSA-N
Compound name
5-(5-bromofuran-2-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.94254 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.949816 134.5
[M+Na]+ 235.931758 149.1
[M-H]- 211.935264 144.8
[M+NH4]+ 230.976363 156.6
[M+K]+ 251.905698 141.9
[M+H-H2O]+ 195.939800 135.5
[M+HCOO]- 257.940741 158.9
[M+CH3COO]- 271.956391 152.2
[M+Na-2H]- 233.917206 143.6
[M]+ 212.94199142 157.4
[M]- 212.94308858 157.4
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

patents stripe