CID 13541365

2-chloro-3-fluoro-5-methylpyridine

Structural Information

Molecular Formula
C6H5ClFN
SMILES
CC1=CC(=C(N=C1)Cl)F
InChI
InChI=1S/C6H5ClFN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey
XZJURWKNRAGMCG-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

145.00946 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01674 121.1
[M+Na]+ 167.99868 132.5
[M-H]- 144.00218 122.7
[M+NH4]+ 163.04328 142.6
[M+K]+ 183.97262 128.9
[M+H-H2O]+ 128.00672 115.4
[M+HCOO]- 190.00766 139.7
[M+CH3COO]- 204.02331 173.8
[M+Na-2H]- 165.98413 128.7
[M]+ 145.00891 121.9
[M]- 145.01001 121.9
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