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]+ 152.05061 123.9
[M+Na]+ 174.03255 135.7
[M-H]- 150.03605 123.9
[M+NH4]+ 169.07715 141.8
[M+K]+ 190.00649 132.6
[M+H-H2O]+ 134.04059 111.1
[M+HCOO]- 196.04153 141.1
[M+CH3COO]- 210.05718 184.9
[M+Na-2H]- 172.01800 130.0
[M]+ 151.04278 118.9
[M]- 151.04388 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.