CID 14915116

6-fluoro-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC2=C(C=CC(=C2)F)C(=O)C1
InChI
InChI=1S/C10H9FO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChIKey
NJYZZEHPEKDFEK-UHFFFAOYSA-N
Compound name
6-fluoro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

431
Patents

164.06374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 129.5
[M+Na]+ 187.05296 138.1
[M-H]- 163.05646 132.8
[M+NH4]+ 182.09756 151.4
[M+K]+ 203.02690 135.1
[M+H-H2O]+ 147.06100 123.2
[M+HCOO]- 209.06194 150.1
[M+CH3COO]- 223.07759 178.5
[M+Na-2H]- 185.03841 136.5
[M]+ 164.06319 126.0
[M]- 164.06429 126.0
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