CID 134821923

Ethyl 2-(2-bromo-4-fluorophenyl)-2-cyanoacetate

Structural Information

Molecular Formula
C11H9BrFNO2
SMILES
CCOC(=O)C(C#N)C1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C11H9BrFNO2/c1-2-16-11(15)9(6-14)8-4-3-7(13)5-10(8)12/h3-5,9H,2H2,1H3
InChIKey
MYMBLHUYJPTEQM-UHFFFAOYSA-N
Compound name
ethyl 2-(2-bromo-4-fluorophenyl)-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.98007 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.987346 150.4
[M+Na]+ 307.969288 163.4
[M-H]- 283.972794 153.8
[M+NH4]+ 303.013893 167.9
[M+K]+ 323.943228 152.1
[M+H-H2O]+ 267.977330 142.6
[M+HCOO]- 329.978271 168.5
[M+CH3COO]- 343.993921 207.5
[M+Na-2H]- 305.954736 154.0
[M]+ 284.97952142 162.9
[M]- 284.98061858 162.9
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.