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

223
Patents

239.94688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95416 136.3
[M+Na]+ 262.93610 150.0
[M-H]- 238.93960 134.7
[M+NH4]+ 257.98070 152.5
[M+K]+ 278.91004 144.2
[M+H-H2O]+ 222.94414 123.3
[M+HCOO]- 284.94508 143.7
[M+CH3COO]- 298.96073 200.3
[M+Na-2H]- 260.92155 141.1
[M]+ 239.94633 130.9
[M]- 239.94743 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.