CID 25257055

2-ethynyl-4-fluoro-1-methoxybenzene

Structural Information

Molecular Formula
C9H7FO
SMILES
COC1=C(C=C(C=C1)F)C#C
InChI
InChI=1S/C9H7FO/c1-3-7-6-8(10)4-5-9(7)11-2/h1,4-6H,2H3
InChIKey
FCSZVHYDFHSYSO-UHFFFAOYSA-N
Compound name
2-ethynyl-4-fluoro-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.0481 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 129.6
[M+Na]+ 173.03732 142.9
[M+NH4]+ 168.08192 134.7
[M+K]+ 189.01126 132.9
[M-H]- 149.04082 122.7
[M+Na-2H]- 171.02277 133.7
[M]+ 150.04755 128.8
[M]- 150.04865 128.8
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

patents stripe