CID 154814229

6-bromo-3-fluoro-5-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H4BrFN2
SMILES
CC1=CC(=C(N=C1Br)C#N)F
InChI
InChI=1S/C7H4BrFN2/c1-4-2-5(9)6(3-10)11-7(4)8/h2H,1H3
InChIKey
XVKPHTBUQMRQGO-UHFFFAOYSA-N
Compound name
6-bromo-3-fluoro-5-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.9542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.961476 127.6
[M+Na]+ 236.943418 142.9
[M-H]- 212.946924 130.4
[M+NH4]+ 231.988023 146.9
[M+K]+ 252.917358 131.7
[M+H-H2O]+ 196.951460 120.1
[M+HCOO]- 258.952401 146.9
[M+CH3COO]- 272.968051 197.1
[M+Na-2H]- 234.928866 135.1
[M]+ 213.95365142 139.1
[M]- 213.95474858 139.1
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

No patent data available for this compound.