CID 12363639

62157-66-8

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC(=O)/C=C/C1=CC=C(O1)Br
InChI
InChI=1S/C8H7BrO3/c1-11-8(10)5-3-6-2-4-7(9)12-6/h2-5H,1H3/b5-3+
InChIKey
HHPXRRQKAZDWDG-HWKANZROSA-N
Compound name
methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

229.95786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 141.9
[M+Na]+ 252.947078 154.2
[M-H]- 228.950584 149.1
[M+NH4]+ 247.991683 164.2
[M+K]+ 268.921018 145.3
[M+H-H2O]+ 212.955120 142.6
[M+HCOO]- 274.956061 164.1
[M+CH3COO]- 288.971711 183.8
[M+Na-2H]- 250.932526 148.3
[M]+ 229.95731142 163.5
[M]- 229.95840858 163.5
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