CID 334852

2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
CC1=C(C(=NC(=C1Cl)C)Cl)C#N
InChI
InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
InChIKey
UCGWYTUBYASPFG-UHFFFAOYSA-N
Compound name
2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

199.9908 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998076 135.6
[M+Na]+ 222.980018 149.7
[M-H]- 198.983524 137.8
[M+NH4]+ 218.024623 153.8
[M+K]+ 238.953958 144.1
[M+H-H2O]+ 182.988060 125.1
[M+HCOO]- 244.989001 146.8
[M+CH3COO]- 259.004651 197.0
[M+Na-2H]- 220.965466 140.2
[M]+ 199.99025142 134.4
[M]- 199.99134858 134.4
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