CID 55297158

6-fluoro-5-methoxy-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C10H9FO2
SMILES
COC1=C(C=C2C(=C1)CCC2=O)F
InChI
InChI=1S/C10H9FO2/c1-13-10-4-6-2-3-9(12)7(6)5-8(10)11/h4-5H,2-3H2,1H3
InChIKey
UEAXBANALITWAP-UHFFFAOYSA-N
Compound name
6-fluoro-5-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

180.05865 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.065926 133.0
[M+Na]+ 203.047868 143.5
[M-H]- 179.051374 137.0
[M+NH4]+ 198.092473 156.6
[M+K]+ 219.021808 140.9
[M+H-H2O]+ 163.055910 127.4
[M+HCOO]- 225.056851 156.1
[M+CH3COO]- 239.072501 181.4
[M+Na-2H]- 201.033316 137.9
[M]+ 180.05810142 133.6
[M]- 180.05919858 133.6
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