CID 599633

Methyl 5-bromofuran-2-carboxylate

Structural Information

Molecular Formula
C6H5BrO3
SMILES
COC(=O)C1=CC=C(O1)Br
InChI
InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChIKey
FBPIDMAELBIRLE-UHFFFAOYSA-N
Compound name
methyl 5-bromofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

745
Patents

203.94221 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe