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]+ 258.99645 152.2
[M+Na]+ 280.97839 163.4
[M-H]- 256.98189 159.2
[M+NH4]+ 276.02299 173.3
[M+K]+ 296.95233 154.4
[M+H-H2O]+ 240.98643 152.5
[M+HCOO]- 302.98737 172.8
[M+CH3COO]- 317.00302 190.2
[M+Na-2H]- 278.96384 156.3
[M]+ 257.98862 173.8
[M]- 257.98972 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.