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

26
Patents

180.05865 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 133.0
[M+Na]+ 203.04787 143.5
[M-H]- 179.05137 137.0
[M+NH4]+ 198.09247 156.6
[M+K]+ 219.02181 140.9
[M+H-H2O]+ 163.05591 127.4
[M+HCOO]- 225.05685 156.1
[M+CH3COO]- 239.07250 181.4
[M+Na-2H]- 201.03332 137.9
[M]+ 180.05810 133.6
[M]- 180.05920 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