CID 11446522

6-fluoro-2-methylindanone

Structural Information

Molecular Formula
C10H9FO
SMILES
CC1CC2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
InChIKey
BABIQLUCYVRCIX-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

130
Patents

164.06374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 129.7
[M+Na]+ 187.052958 140.3
[M-H]- 163.056464 133.8
[M+NH4]+ 182.097563 154.0
[M+K]+ 203.026898 137.2
[M+H-H2O]+ 147.061000 124.4
[M+HCOO]- 209.061941 152.6
[M+CH3COO]- 223.077591 179.3
[M+Na-2H]- 185.038406 134.6
[M]+ 164.06319142 128.9
[M]- 164.06428858 128.9
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