CID 2762819

4-fluoro-2-methylpyridine

Structural Information

Molecular Formula
C6H6FN
SMILES
CC1=NC=CC(=C1)F
InChI
InChI=1S/C6H6FN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKey
LEJYGRVERQVBLB-UHFFFAOYSA-N
Compound name
4-fluoro-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

487
Patents

111.04842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05570 116.1
[M+Na]+ 134.03764 125.8
[M-H]- 110.04114 117.6
[M+NH4]+ 129.08224 137.9
[M+K]+ 150.01158 124.3
[M+H-H2O]+ 94.045680 109.6
[M+HCOO]- 156.04662 139.3
[M+CH3COO]- 170.06227 168.8
[M+Na-2H]- 132.02309 124.9
[M]+ 111.04787 114.7
[M]- 111.04897 114.7
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