CID 124251818

1806849-64-8

Structural Information

Molecular Formula
C6H2BrFN2
SMILES
C1=CC(=C(N=C1C#N)F)Br
InChI
InChI=1S/C6H2BrFN2/c7-5-2-1-4(3-9)10-6(5)8/h1-2H
InChIKey
MXRWXNAMHZMHSF-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.93854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.94582 124.0
[M+Na]+ 222.92776 139.0
[M-H]- 198.93126 126.6
[M+NH4]+ 217.97236 143.6
[M+K]+ 238.90170 127.9
[M+H-H2O]+ 182.93580 116.6
[M+HCOO]- 244.93674 143.6
[M+CH3COO]- 258.95239 193.6
[M+Na-2H]- 220.91321 132.6
[M]+ 199.93799 135.0
[M]- 199.93909 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

No patent data available for this compound.