CID 50998806

1-ethynyl-4-fluoronaphthalene

Structural Information

Molecular Formula
C12H7F
SMILES
C#CC1=CC=C(C2=CC=CC=C12)F
InChI
InChI=1S/C12H7F/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h1,3-8H
InChIKey
ARSKESVWCAQYBW-UHFFFAOYSA-N
Compound name
1-ethynyl-4-fluoronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

170.05318 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06046 134.8
[M+Na]+ 193.04240 147.4
[M-H]- 169.04590 136.9
[M+NH4]+ 188.08700 154.3
[M+K]+ 209.01634 140.3
[M+H-H2O]+ 153.05044 122.8
[M+HCOO]- 215.05138 151.8
[M+CH3COO]- 229.06703 147.2
[M+Na-2H]- 191.02785 141.5
[M]+ 170.05263 128.3
[M]- 170.05373 128.3
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