CID 167727882

4-ethynyl-6-fluoroquinoline

Structural Information

Molecular Formula
C11H6FN
SMILES
C#CC1=C2C=C(C=CC2=NC=C1)F
InChI
InChI=1S/C11H6FN/c1-2-8-5-6-13-11-4-3-9(12)7-10(8)11/h1,3-7H
InChIKey
JEMSHGQYSOMMMK-UHFFFAOYSA-N
Compound name
4-ethynyl-6-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04843 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05571 133.2
[M+Na]+ 194.03765 145.8
[M-H]- 170.04115 133.6
[M+NH4]+ 189.08225 151.3
[M+K]+ 210.01159 139.1
[M+H-H2O]+ 154.04569 120.1
[M+HCOO]- 216.04663 149.1
[M+CH3COO]- 230.06228 145.2
[M+Na-2H]- 192.02310 140.4
[M]+ 171.04788 126.7
[M]- 171.04898 126.7
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

No patent data available for this compound.