CID 5044385

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

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC2=C(CC1=O)C=CC(=C2)F
InChI
InChI=1S/C10H9FO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2
InChIKey
QMXOEISLPMFMBQ-UHFFFAOYSA-N
Compound name
6-fluoro-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

164.06374 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe