CID 3016257

41201-58-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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

No literature data available for this compound.

Patent stripe

patents stripe