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]+ 213.94982 134.5
[M+Na]+ 235.93176 149.1
[M-H]- 211.93526 144.8
[M+NH4]+ 230.97636 156.6
[M+K]+ 251.90570 141.9
[M+H-H2O]+ 195.93980 135.5
[M+HCOO]- 257.94074 158.9
[M+CH3COO]- 271.95639 152.2
[M+Na-2H]- 233.91721 143.6
[M]+ 212.94199 157.4
[M]- 212.94309 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