CID 46315477

3-(3-fluoro-4-methoxyphenyl)pyridine

Structural Information

Molecular Formula
C12H10FNO
SMILES
COC1=C(C=C(C=C1)C2=CN=CC=C2)F
InChI
InChI=1S/C12H10FNO/c1-15-12-5-4-9(7-11(12)13)10-3-2-6-14-8-10/h2-8H,1H3
InChIKey
UELLXWZXEYUMPD-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methoxyphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.07465 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08193 140.8
[M+Na]+ 226.06387 150.3
[M-H]- 202.06737 145.4
[M+NH4]+ 221.10847 158.7
[M+K]+ 242.03781 146.8
[M+H-H2O]+ 186.07191 132.2
[M+HCOO]- 248.07285 163.8
[M+CH3COO]- 262.08850 185.6
[M+Na-2H]- 224.04932 148.1
[M]+ 203.07410 140.8
[M]- 203.07520 140.8
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