CID 10997126

4-chloro-3,5-dimethylpyridine

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=CN=CC(=C1Cl)C
InChI
InChI=1S/C7H8ClN/c1-5-3-9-4-6(2)7(5)8/h3-4H,1-2H3
InChIKey
KQZPYCAYJQTSMV-UHFFFAOYSA-N
Compound name
4-chloro-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

141.03453 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 123.5
[M+Na]+ 164.02375 134.5
[M-H]- 140.02725 126.4
[M+NH4]+ 159.06835 145.4
[M+K]+ 179.99769 131.2
[M+H-H2O]+ 124.03179 118.7
[M+HCOO]- 186.03273 142.8
[M+CH3COO]- 200.04838 174.1
[M+Na-2H]- 162.00920 131.2
[M]+ 141.03398 125.8
[M]- 141.03508 125.8
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