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

56
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 138.6
[M+Na]+ 240.94708 150.9
[M-H]- 216.95058 145.9
[M+NH4]+ 235.99168 161.3
[M+K]+ 256.92102 142.7
[M+H-H2O]+ 200.95512 139.3
[M+HCOO]- 262.95606 160.9
[M+CH3COO]- 276.97171 182.4
[M+Na-2H]- 238.93253 145.4
[M]+ 217.95731 160.5
[M]- 217.95841 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