CID 137699005

Methyl 5-bromo-3-(bromomethyl)furan-2-carboxylate

Structural Information

Molecular Formula
C7H6Br2O3
SMILES
COC(=O)C1=C(C=C(O1)Br)CBr
InChI
InChI=1S/C7H6Br2O3/c1-11-7(10)6-4(3-8)2-5(9)12-6/h2H,3H2,1H3
InChIKey
FKERSYGGHVWAHC-UHFFFAOYSA-N
Compound name
methyl 5-bromo-3-(bromomethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.86838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.87566 143.5
[M+Na]+ 318.85760 155.4
[M-H]- 294.86110 151.2
[M+NH4]+ 313.90220 163.3
[M+K]+ 334.83154 142.1
[M+H-H2O]+ 278.86564 151.6
[M+HCOO]- 340.86658 160.2
[M+CH3COO]- 354.88223 201.2
[M+Na-2H]- 316.84305 149.4
[M]+ 295.86783 180.3
[M]- 295.86893 180.3
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

No patent data available for this compound.