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]+ 136.05571 121.3
[M+Na]+ 158.03765 133.1
[M-H]- 134.04115 121.3
[M+NH4]+ 153.08225 139.8
[M+K]+ 174.01159 129.5
[M+H-H2O]+ 118.04569 108.7
[M+HCOO]- 180.04663 138.2
[M+CH3COO]- 194.06228 183.2
[M+Na-2H]- 156.02310 127.4
[M]+ 135.04788 115.0
[M]- 135.04898 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.