CID 2736726

2,6-dichloro-4-(trifluoromethyl)nicotinonitrile

Structural Information

Molecular Formula
C7HCl2F3N2
SMILES
C1=C(C(=C(N=C1Cl)Cl)C#N)C(F)(F)F
InChI
InChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKey
WRXXBTBGBXYHSG-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

228
Patents

239.94688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.954156 136.3
[M+Na]+ 262.936098 150.0
[M-H]- 238.939604 134.7
[M+NH4]+ 257.980703 152.5
[M+K]+ 278.910038 144.2
[M+H-H2O]+ 222.944140 123.3
[M+HCOO]- 284.945081 143.7
[M+CH3COO]- 298.960731 200.3
[M+Na-2H]- 260.921546 141.1
[M]+ 239.94633142 130.9
[M]- 239.94742858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe