CID 242722

2-fluoro-3-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1382
Patents

111.04842 Da
Monoisotopic Mass

1.7
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