CID 10845885

Methyl 2-bromofuran-3-carboxylate

Structural Information

Molecular Formula
C6H5BrO3
SMILES
COC(=O)C1=C(OC=C1)Br
InChI
InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
InChIKey
XXUUZVIMSVBWIQ-UHFFFAOYSA-N
Compound name
methyl 2-bromofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

203.94221 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.949486 133.7
[M+Na]+ 226.931428 146.5
[M-H]- 202.934934 141.2
[M+NH4]+ 221.976033 157.0
[M+K]+ 242.905368 138.6
[M+H-H2O]+ 186.939470 134.6
[M+HCOO]- 248.940411 156.4
[M+CH3COO]- 262.956061 179.6
[M+Na-2H]- 224.916876 141.2
[M]+ 203.94166142 155.4
[M]- 203.94275858 155.4
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