CID 40418618

5-chloro-2-fluoro-3-methylpyridine

Structural Information

Molecular Formula
C6H5ClFN
SMILES
CC1=CC(=CN=C1F)Cl
InChI
InChI=1S/C6H5ClFN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKey
JUDDLKSLYAIQDR-UHFFFAOYSA-N
Compound name
5-chloro-2-fluoro-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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

No literature data available for this compound.

Patent stripe

patents stripe