CID 736029

4-bromo-2-fluorobenzonitrile

Structural Information

Molecular Formula
C7H3BrFN
SMILES
C1=CC(=C(C=C1Br)F)C#N
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKey
HGXWRDPQFZKOLZ-UHFFFAOYSA-N
Compound name
4-bromo-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2772
Patents

198.94328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95056 135.0
[M+Na]+ 221.93250 139.8
[M+NH4]+ 216.97710 137.6
[M+K]+ 237.90644 135.6
[M-H]- 197.93600 128.9
[M+Na-2H]- 219.91795 137.2
[M]+ 198.94273 132.2
[M]- 198.94383 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe