CID 58504630

4-bromo-2-fluoro-6-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3BrFNO
SMILES
C1=C(C=C(C(=C1O)C#N)F)Br
InChI
InChI=1S/C7H3BrFNO/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2,11H
InChIKey
ARDAEBQYIBXEMA-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-6-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

214.9382 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94548 137.8
[M+Na]+ 237.92742 142.1
[M+NH4]+ 232.97202 139.7
[M+K]+ 253.90136 138.7
[M-H]- 213.93092 131.0
[M+Na-2H]- 235.91287 139.0
[M]+ 214.93765 134.7
[M]- 214.93875 134.7
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