CID 101457444

Methyl 5-bromo-2-formylfuran-3-carboxylate

Structural Information

Molecular Formula
C7H5BrO4
SMILES
COC(=O)C1=C(OC(=C1)Br)C=O
InChI
InChI=1S/C7H5BrO4/c1-11-7(10)4-2-6(8)12-5(4)3-9/h2-3H,1H3
InChIKey
FQKUUDQFLSMYBE-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-formylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.93712 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.944396 138.3
[M+Na]+ 254.926338 151.6
[M-H]- 230.929844 145.9
[M+NH4]+ 249.970943 160.5
[M+K]+ 270.900278 143.3
[M+H-H2O]+ 214.934380 139.0
[M+HCOO]- 276.935321 160.9
[M+CH3COO]- 290.950971 184.6
[M+Na-2H]- 252.911786 144.7
[M]+ 231.93657142 161.3
[M]- 231.93766858 161.3
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