CID 46037063

3-(chloromethyl)-5-(5-fluoro-2-methoxyphenyl)pyridine

Structural Information

Molecular Formula
C13H11ClFNO
SMILES
COC1=C(C=C(C=C1)F)C2=CN=CC(=C2)CCl
InChI
InChI=1S/C13H11ClFNO/c1-17-13-3-2-11(15)5-12(13)10-4-9(6-14)7-16-8-10/h2-5,7-8H,6H2,1H3
InChIKey
BPBGXHIRCWFGQD-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(5-fluoro-2-methoxyphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05132 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05860 151.0
[M+Na]+ 274.04054 161.7
[M-H]- 250.04404 155.4
[M+NH4]+ 269.08514 168.1
[M+K]+ 290.01448 156.2
[M+H-H2O]+ 234.04858 142.9
[M+HCOO]- 296.04952 169.0
[M+CH3COO]- 310.06517 193.5
[M+Na-2H]- 272.02599 156.5
[M]+ 251.05077 153.9
[M]- 251.05187 153.9
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

No patent data available for this compound.