CID 3020567

2-(4-fluorophenyl)-5-methylpyridine

Structural Information

Molecular Formula
C12H10FN
SMILES
CC1=CN=C(C=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FN/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-8H,1H3
InChIKey
WSVYYUKIXFSDTE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

187.07973 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.087006 137.2
[M+Na]+ 210.068948 146.8
[M-H]- 186.072454 141.7
[M+NH4]+ 205.113553 155.8
[M+K]+ 226.042888 142.7
[M+H-H2O]+ 170.076990 128.9
[M+HCOO]- 232.077931 159.9
[M+CH3COO]- 246.093581 150.9
[M+Na-2H]- 208.054396 144.5
[M]+ 187.07918142 135.8
[M]- 187.08027858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe