CID 22087228

2,5-dichloro-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

160.9799 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe