CID 58432609

2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine

Structural Information

Molecular Formula
C12H9ClFNO
SMILES
COC1=C(C=CC(=C1)F)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C12H9ClFNO/c1-16-11-7-9(14)2-3-10(11)8-4-5-15-12(13)6-8/h2-7H,1H3
InChIKey
LROVANCXMGYVLL-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

237.03568 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04296 146.3
[M+Na]+ 260.02490 157.5
[M-H]- 236.02840 150.9
[M+NH4]+ 255.06950 163.9
[M+K]+ 275.99884 152.2
[M+H-H2O]+ 220.03294 138.4
[M+HCOO]- 282.03388 164.6
[M+CH3COO]- 296.04953 190.5
[M+Na-2H]- 258.01035 152.3
[M]+ 237.03513 148.8
[M]- 237.03623 148.8
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