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

79
Patents

160.9799 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.987176 124.9
[M+Na]+ 183.969118 136.4
[M-H]- 159.972624 127.0
[M+NH4]+ 179.013723 146.1
[M+K]+ 199.943058 131.9
[M+H-H2O]+ 143.977160 120.7
[M+HCOO]- 205.978101 139.2
[M+CH3COO]- 219.993751 176.0
[M+Na-2H]- 181.954566 132.2
[M]+ 160.97935142 127.6
[M]- 160.98044858 127.6
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