CID 124253646

Ethyl (2z)-3-(5-bromofuran-2-yl)-2-methylprop-2-enoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CCOC(=O)/C(=C\C1=CC=C(O1)Br)/C
InChI
InChI=1S/C10H11BrO3/c1-3-13-10(12)7(2)6-8-4-5-9(11)14-8/h4-6H,3H2,1-2H3/b7-6-
InChIKey
GAGWQMYKBGXUJD-SREVYHEPSA-N
Compound name
ethyl (Z)-3-(5-bromofuran-2-yl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.98917 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 152.2
[M+Na]+ 280.978388 163.4
[M-H]- 256.981894 159.2
[M+NH4]+ 276.022993 173.3
[M+K]+ 296.952328 154.4
[M+H-H2O]+ 240.986430 152.5
[M+HCOO]- 302.987371 172.8
[M+CH3COO]- 317.003021 190.2
[M+Na-2H]- 278.963836 156.3
[M]+ 257.98862142 173.8
[M]- 257.98971858 173.8
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

No patent data available for this compound.