CID 14744785

1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene

Structural Information

Molecular Formula
C16H13FO
SMILES
CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F
InChI
InChI=1S/C16H13FO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,2H2,1H3
InChIKey
SPWWAWOPYSOPDE-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

240.09505 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10233 154.6
[M+Na]+ 263.08427 165.5
[M-H]- 239.08777 157.8
[M+NH4]+ 258.12887 170.3
[M+K]+ 279.05821 158.4
[M+H-H2O]+ 223.09231 140.8
[M+HCOO]- 285.09325 171.8
[M+CH3COO]- 299.10890 199.0
[M+Na-2H]- 261.06972 158.4
[M]+ 240.09450 149.1
[M]- 240.09560 149.1
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