CID 2736827

Methyl 2-(bromomethyl)-3-furoate

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

55
Patents

217.95786 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96514 139.8
[M+Na]+ 240.94708 141.8
[M+NH4]+ 235.99168 144.0
[M+K]+ 256.92102 144.6
[M-H]- 216.95058 140.0
[M+Na-2H]- 238.93253 141.2
[M]+ 217.95731 138.8
[M]- 217.95841 138.8
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