CID 16096806

Fpmepa

Structural Information

Molecular Formula
C15H11F
SMILES
CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F
InChI
InChI=1S/C15H11F/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-5,8-11H,1H3
InChIKey
JCRMBQAZFAAAPZ-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

210.08447 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09175 147.6
[M+Na]+ 233.07369 159.0
[M-H]- 209.07719 151.0
[M+NH4]+ 228.11829 164.5
[M+K]+ 249.04763 151.5
[M+H-H2O]+ 193.08173 134.2
[M+HCOO]- 255.08267 164.9
[M+CH3COO]- 269.09832 159.0
[M+Na-2H]- 231.05914 151.9
[M]+ 210.08392 140.5
[M]- 210.08502 140.5
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