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]+ 186.98244 132.1
[M+Na]+ 208.96438 145.8
[M-H]- 184.96788 134.0
[M+NH4]+ 204.00898 150.4
[M+K]+ 224.93832 140.3
[M+H-H2O]+ 168.97242 121.4
[M+HCOO]- 230.97336 143.5
[M+CH3COO]- 244.98901 193.4
[M+Na-2H]- 206.94983 137.7
[M]+ 185.97461 130.2
[M]- 185.97571 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.