CID 71270750

4-bromo-2-fluoro-3-methoxybenzonitrile

Structural Information

Molecular Formula
C8H5BrFNO
SMILES
COC1=C(C=CC(=C1F)C#N)Br
InChI
InChI=1S/C8H5BrFNO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,1H3
InChIKey
DSYSEUICIGILGV-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

228.95386 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.96114 141.0
[M+Na]+ 251.94308 145.5
[M+NH4]+ 246.98768 143.0
[M+K]+ 267.91702 141.7
[M-H]- 227.94658 134.5
[M+Na-2H]- 249.92853 142.4
[M]+ 228.95331 138.1
[M]- 228.95441 138.1
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