CID 74888752

5-ethynyl-2-fluoro-4-methylpyridine

Structural Information

Molecular Formula
C8H6FN
SMILES
CC1=CC(=NC=C1C#C)F
InChI
InChI=1S/C8H6FN/c1-3-7-5-10-8(9)4-6(7)2/h1,4-5H,2H3
InChIKey
SICWQGKLHDZHIW-UHFFFAOYSA-N
Compound name
5-ethynyl-2-fluoro-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04843 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.055706 121.3
[M+Na]+ 158.037648 133.1
[M-H]- 134.041154 121.3
[M+NH4]+ 153.082253 139.8
[M+K]+ 174.011588 129.5
[M+H-H2O]+ 118.045690 108.7
[M+HCOO]- 180.046631 138.2
[M+CH3COO]- 194.062281 183.2
[M+Na-2H]- 156.023096 127.4
[M]+ 135.04788142 115.0
[M]- 135.04897858 115.0
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

No patent data available for this compound.