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]+ 238.042956 146.3
[M+Na]+ 260.024898 157.5
[M-H]- 236.028404 150.9
[M+NH4]+ 255.069503 163.9
[M+K]+ 275.998838 152.2
[M+H-H2O]+ 220.032940 138.4
[M+HCOO]- 282.033881 164.6
[M+CH3COO]- 296.049531 190.5
[M+Na-2H]- 258.010346 152.3
[M]+ 237.03513142 148.8
[M]- 237.03622858 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