CID 83410304

3-amino-6-bromo-2-fluorobenzonitrile

Structural Information

Molecular Formula
C7H4BrFN2
SMILES
C1=CC(=C(C(=C1N)F)C#N)Br
InChI
InChI=1S/C7H4BrFN2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,11H2
InChIKey
GOGBAGGPPPUULH-UHFFFAOYSA-N
Compound name
3-amino-6-bromo-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.9542 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.961476 132.7
[M+Na]+ 236.943418 147.3
[M-H]- 212.946924 136.3
[M+NH4]+ 231.988023 152.5
[M+K]+ 252.917358 135.4
[M+H-H2O]+ 196.951460 125.3
[M+HCOO]- 258.952401 153.2
[M+CH3COO]- 272.968051 198.4
[M+Na-2H]- 234.928866 138.9
[M]+ 213.95365142 142.1
[M]- 213.95474858 142.1
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