CID 6536000

Ethyl 3-(5-bromo-2-furyl)-2-cyanoacrylate

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
CCOC(=O)/C(=C/C1=CC=C(O1)Br)/C#N
InChI
InChI=1S/C10H8BrNO3/c1-2-14-10(13)7(6-12)5-8-3-4-9(11)15-8/h3-5H,2H2,1H3/b7-5+
InChIKey
MZRQKTCUZZQCMY-FNORWQNLSA-N
Compound name
ethyl (E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.976026 150.5
[M+Na]+ 291.957968 163.6
[M-H]- 267.961474 155.3
[M+NH4]+ 287.002573 168.8
[M+K]+ 307.931908 153.5
[M+H-H2O]+ 251.966010 143.1
[M+HCOO]- 313.966951 169.8
[M+CH3COO]- 327.982601 202.2
[M+Na-2H]- 289.943416 154.4
[M]+ 268.96820142 164.9
[M]- 268.96929858 164.9
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.