CID 134821923

1810045-12-5

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]+ 285.98735 153.9
[M+Na]+ 307.96929 156.8
[M+NH4]+ 303.01389 154.7
[M+K]+ 323.94323 153.8
[M-H]- 283.97279 146.3
[M+Na-2H]- 305.95474 153.8
[M]+ 284.97952 150.3
[M]- 284.98062 150.3
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.