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

24
Patents

217.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96514 137.5
[M+Na]+ 240.94708 150.8
[M-H]- 216.95058 145.2
[M+NH4]+ 235.99168 160.5
[M+K]+ 256.92102 142.5
[M+H-H2O]+ 200.95512 138.5
[M+HCOO]- 262.95606 159.8
[M+CH3COO]- 276.97171 183.5
[M+Na-2H]- 238.93253 143.9
[M]+ 217.95731 159.9
[M]- 217.95841 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