CID 57345812

Ethyl 4-bromooxazole-5-carboxylate

Structural Information

Molecular Formula
C6H6BrNO3
SMILES
CCOC(=O)C1=C(N=CO1)Br
InChI
InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2H2,1H3
InChIKey
ARPHYGHAUCJWCC-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

218.95311 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.96039 136.1
[M+Na]+ 241.94233 148.8
[M-H]- 217.94583 142.2
[M+NH4]+ 236.98693 157.5
[M+K]+ 257.91627 140.9
[M+H-H2O]+ 201.95037 136.1
[M+HCOO]- 263.95131 157.6
[M+CH3COO]- 277.96696 182.0
[M+Na-2H]- 239.92778 143.5
[M]+ 218.95256 158.3
[M]- 218.95366 158.3
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