CID 72212245

3-(chloromethyl)-4-fluoropyridine hydrochloride

Structural Information

Molecular Formula
C6H5ClFN
SMILES
C1=CN=CC(=C1F)CCl
InChI
InChI=1S/C6H5ClFN/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,3H2
InChIKey
PSMWQFSAHIQJJY-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.00946 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01674 121.5
[M+Na]+ 167.99868 132.0
[M-H]- 144.00218 122.7
[M+NH4]+ 163.04328 142.8
[M+K]+ 183.97262 128.4
[M+H-H2O]+ 128.00672 115.6
[M+HCOO]- 190.00766 140.1
[M+CH3COO]- 204.02331 172.7
[M+Na-2H]- 165.98413 129.9
[M]+ 145.00891 122.0
[M]- 145.01001 122.0
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

No patent data available for this compound.