CID 68512255

4-bromo-6-(trifluoromethyl)picolinonitrile

Structural Information

Molecular Formula
C7H2BrF3N2
SMILES
C1=C(C=C(N=C1C#N)C(F)(F)F)Br
InChI
InChI=1S/C7H2BrF3N2/c8-4-1-5(3-12)13-6(2-4)7(9,10)11/h1-2H
InChIKey
DJHCLJZOYOJTHI-UHFFFAOYSA-N
Compound name
4-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.93535 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.942626 137.1
[M+Na]+ 272.924568 151.8
[M-H]- 248.928074 137.4
[M+NH4]+ 267.969173 154.8
[M+K]+ 288.898508 140.4
[M+H-H2O]+ 232.932610 128.2
[M+HCOO]- 294.933551 153.2
[M+CH3COO]- 308.949201 200.5
[M+Na-2H]- 270.910016 144.2
[M]+ 249.93480142 145.5
[M]- 249.93589858 145.5
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