CID 21922890

3,4-dichloro-2-methylpyridine

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
CC1=NC=CC(=C1Cl)Cl
InChI
InChI=1S/C6H5Cl2N/c1-4-6(8)5(7)2-3-9-4/h2-3H,1H3
InChIKey
RKTIAZVXWYFNJG-UHFFFAOYSA-N
Compound name
3,4-dichloro-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

300
Patents

160.9799 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 125.9
[M+Na]+ 183.96912 142.2
[M+NH4]+ 179.01372 136.0
[M+K]+ 199.94306 134.0
[M-H]- 159.97262 128.5
[M+Na-2H]- 181.95457 134.7
[M]+ 160.97935 129.7
[M]- 160.98045 129.7
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