CID 165993983

5-bromo-2,3-difluoropyridine-4-carbonitrile

Structural Information

Molecular Formula
C6HBrF2N2
SMILES
C1=C(C(=C(C(=N1)F)F)C#N)Br
InChI
InChI=1S/C6HBrF2N2/c7-4-2-11-6(9)5(8)3(4)1-10/h2H
InChIKey
GALAZSNAVQHPKO-UHFFFAOYSA-N
Compound name
5-bromo-2,3-difluoropyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.92912 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93640 125.6
[M+Na]+ 240.91834 141.2
[M-H]- 216.92184 127.3
[M+NH4]+ 235.96294 144.6
[M+K]+ 256.89228 129.9
[M+H-H2O]+ 200.92638 117.4
[M+HCOO]- 262.92732 144.3
[M+CH3COO]- 276.94297 196.9
[M+Na-2H]- 238.90379 133.0
[M]+ 217.92857 135.8
[M]- 217.92967 135.8
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

No patent data available for this compound.