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 141.9
[M+Na]+ 252.94708 154.2
[M-H]- 228.95058 149.1
[M+NH4]+ 247.99168 164.2
[M+K]+ 268.92102 145.3
[M+H-H2O]+ 212.95512 142.6
[M+HCOO]- 274.95606 164.1
[M+CH3COO]- 288.97171 183.8
[M+Na-2H]- 250.93253 148.3
[M]+ 229.95731 163.5
[M]- 229.95841 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