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]+ 232.94440 138.3
[M+Na]+ 254.92634 151.6
[M-H]- 230.92984 145.9
[M+NH4]+ 249.97094 160.5
[M+K]+ 270.90028 143.3
[M+H-H2O]+ 214.93438 139.0
[M+HCOO]- 276.93532 160.9
[M+CH3COO]- 290.95097 184.6
[M+Na-2H]- 252.91179 144.7
[M]+ 231.93657 161.3
[M]- 231.93767 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