CID 130066534

4-(2-bromoacetyl)-3-fluorobenzonitrile

Structural Information

Molecular Formula
C9H5BrFNO
SMILES
C1=CC(=C(C=C1C#N)F)C(=O)CBr
InChI
InChI=1S/C9H5BrFNO/c10-4-9(13)7-2-1-6(5-12)3-8(7)11/h1-3H,4H2
InChIKey
HRIQRWJMECDPNM-UHFFFAOYSA-N
Compound name
4-(2-bromoacetyl)-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

240.95386 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96114 144.4
[M+Na]+ 263.94308 148.2
[M+NH4]+ 258.98768 145.9
[M+K]+ 279.91702 144.6
[M-H]- 239.94658 137.4
[M+Na-2H]- 261.92853 145.3
[M]+ 240.95331 141.1
[M]- 240.95441 141.1
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

patents stripe