CID 15133602

2-(chloromethyl)-3-fluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

145.00946 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.016736 121.5
[M+Na]+ 167.998678 132.0
[M-H]- 144.002184 122.7
[M+NH4]+ 163.043283 142.8
[M+K]+ 183.972618 128.4
[M+H-H2O]+ 128.006720 115.6
[M+HCOO]- 190.007661 140.1
[M+CH3COO]- 204.023311 172.7
[M+Na-2H]- 165.984126 129.9
[M]+ 145.00891142 122.0
[M]- 145.01000858 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

patents stripe