CID 130980912

3-bromo-4-fluoropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H2BrFN2
SMILES
C1=CN=C(C(=C1F)Br)C#N
InChI
InChI=1S/C6H2BrFN2/c7-6-4(8)1-2-10-5(6)3-9/h1-2H
InChIKey
MCGNXYRPZRMYSE-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.93854 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.945816 124.0
[M+Na]+ 222.927758 139.0
[M-H]- 198.931264 126.6
[M+NH4]+ 217.972363 143.6
[M+K]+ 238.901698 127.9
[M+H-H2O]+ 182.935800 116.6
[M+HCOO]- 244.936741 143.6
[M+CH3COO]- 258.952391 193.6
[M+Na-2H]- 220.913206 132.6
[M]+ 199.93799142 135.0
[M]- 199.93908858 135.0
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