CID 66971661

Methyl 4-bromo-3-methylfuran-2-carboxylate

Structural Information

Molecular Formula
C7H7BrO3
SMILES
CC1=C(OC=C1Br)C(=O)OC
InChI
InChI=1S/C7H7BrO3/c1-4-5(8)3-11-6(4)7(9)10-2/h3H,1-2H3
InChIKey
RJUGNVCDYJRJFD-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

217.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.965136 137.5
[M+Na]+ 240.947078 150.8
[M-H]- 216.950584 145.2
[M+NH4]+ 235.991683 160.5
[M+K]+ 256.921018 142.5
[M+H-H2O]+ 200.955120 138.5
[M+HCOO]- 262.956061 159.8
[M+CH3COO]- 276.971711 183.5
[M+Na-2H]- 238.932526 143.9
[M]+ 217.95731142 159.9
[M]- 217.95840858 159.9
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