CID 9793918

71019-06-2

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC2=CC=CC=C2C(=O)C1F
InChI
InChI=1S/C10H9FO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2
InChIKey
LUGDFJYIDIDZRJ-UHFFFAOYSA-N
Compound name
2-fluoro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

164.06374 Da
Monoisotopic Mass

2.5
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