CID 643358

1-ethynyl-2-fluorobenzene

Structural Information

Molecular Formula
C8H5F
SMILES
C#CC1=CC=CC=C1F
InChI
InChI=1S/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKey
YFPQIXUNBPQKQR-UHFFFAOYSA-N
Compound name
1-ethynyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

763
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

literature stripe

Patent stripe

patents stripe