CID 5113710

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

164.06374 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 129.5
[M+Na]+ 187.052958 138.1
[M-H]- 163.056464 132.8
[M+NH4]+ 182.097563 151.4
[M+K]+ 203.026898 135.1
[M+H-H2O]+ 147.061000 123.2
[M+HCOO]- 209.061941 150.1
[M+CH3COO]- 223.077591 178.5
[M+Na-2H]- 185.038406 136.5
[M]+ 164.06319142 126.0
[M]- 164.06428858 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