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

11
Patents

229.95786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 143.3
[M+Na]+ 252.94708 145.2
[M+NH4]+ 247.99168 147.1
[M+K]+ 268.92102 147.7
[M-H]- 228.95058 143.3
[M+Na-2H]- 250.93253 144.4
[M]+ 229.95731 142.2
[M]- 229.95841 142.2
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