CID 187916

2-ethynylfluorene

Structural Information

Molecular Formula

C₁₅H₁₀

SMILES

C#CC1=CC2=C(C=C1)C3=CC=CC=C3C2

InChI

InChI=1S/C15H10/c1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15/h1,3-9H,10H2

InChIKey

QTZDQTKYFDGVDN-UHFFFAOYSA-N

Compound name

2-ethynyl-9H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 190.07825 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.08553	147.5
[M+Na]+	213.06747	160.8
[M-H]-	189.07097	151.3
[M+NH4]+	208.11207	168.7
[M+K]+	229.04141	150.9
[M+H-H2O]+	173.07551	136.0
[M+HCOO]-	235.07645	164.9
[M+CH3COO]-	249.09210	159.7
[M+Na-2H]-	211.05292	152.9
[M]+	190.07770	142.4
[M]-	190.07880	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe