CID 71300085

5-ethynyl-3-fluoro-2-methoxypyridine

Structural Information

Molecular Formula
C8H6FNO
SMILES
COC1=C(C=C(C=N1)C#C)F
InChI
InChI=1S/C8H6FNO/c1-3-6-4-7(9)8(11-2)10-5-6/h1,4-5H,2H3
InChIKey
JRUDNZBDERDKQV-UHFFFAOYSA-N
Compound name
5-ethynyl-3-fluoro-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.04333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.050606 123.9
[M+Na]+ 174.032548 135.7
[M-H]- 150.036054 123.9
[M+NH4]+ 169.077153 141.8
[M+K]+ 190.006488 132.6
[M+H-H2O]+ 134.040590 111.1
[M+HCOO]- 196.041531 141.1
[M+CH3COO]- 210.057181 184.9
[M+Na-2H]- 172.017996 130.0
[M]+ 151.04278142 118.9
[M]- 151.04387858 118.9
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.