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]+ 269.97603 150.5
[M+Na]+ 291.95797 163.6
[M-H]- 267.96147 155.3
[M+NH4]+ 287.00257 168.8
[M+K]+ 307.93191 153.5
[M+H-H2O]+ 251.96601 143.1
[M+HCOO]- 313.96695 169.8
[M+CH3COO]- 327.98260 202.2
[M+Na-2H]- 289.94342 154.4
[M]+ 268.96820 164.9
[M]- 268.96930 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.