CID 2736827

53020-08-9

Structural Information

Molecular Formula
C7H7BrO3
SMILES
COC(=O)C1=C(OC=C1)CBr
InChI
InChI=1S/C7H7BrO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4H2,1H3
InChIKey
SOPVGIIHUGGHGO-UHFFFAOYSA-N
Compound name
methyl 2-(bromomethyl)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

217.95786 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.965136 138.6
[M+Na]+ 240.947078 150.9
[M-H]- 216.950584 145.9
[M+NH4]+ 235.991683 161.3
[M+K]+ 256.921018 142.7
[M+H-H2O]+ 200.955120 139.3
[M+HCOO]- 262.956061 160.9
[M+CH3COO]- 276.971711 182.4
[M+Na-2H]- 238.932526 145.4
[M]+ 217.95731142 160.5
[M]- 217.95840858 160.5
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