CID 522627

1-ethynyl-4-fluorobenzene

Structural Information

Molecular Formula
C8H5F
SMILES
C#CC1=CC=C(C=C1)F
InChI
InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey
QXSWHQGIEKUBAS-UHFFFAOYSA-N
Compound name
1-ethynyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2863
Patents

120.03753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04481 119.6
[M+Na]+ 143.02675 131.1
[M-H]- 119.03025 121.1
[M+NH4]+ 138.07135 139.8
[M+K]+ 159.00069 127.0
[M+H-H2O]+ 103.03479 108.1
[M+HCOO]- 165.03573 137.9
[M+CH3COO]- 179.05138 179.9
[M+Na-2H]- 141.01220 126.4
[M]+ 120.03698 112.6
[M]- 120.03808 112.6
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.