CID 72218439

4,6-dichloro-3-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
CC1=C(N=C(C=C1Cl)Cl)C#N
InChI
InChI=1S/C7H4Cl2N2/c1-4-5(8)2-7(9)11-6(4)3-10/h2H,1H3
InChIKey
LUBKOKRXWDEJHB-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.97516 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.982436 132.1
[M+Na]+ 208.964378 145.8
[M-H]- 184.967884 134.0
[M+NH4]+ 204.008983 150.4
[M+K]+ 224.938318 140.3
[M+H-H2O]+ 168.972420 121.4
[M+HCOO]- 230.973361 143.5
[M+CH3COO]- 244.989011 193.4
[M+Na-2H]- 206.949826 137.7
[M]+ 185.97461142 130.2
[M]- 185.97570858 130.2
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.