CID 2737390

6-fluoro-2-methyl-4-chromanone

Structural Information

Molecular Formula
C10H9FO2
SMILES
CC1CC(=O)C2=C(O1)C=CC(=C2)F
InChI
InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3
InChIKey
RPAIBTVEPAACRP-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

180.05865 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.065926 132.5
[M+Na]+ 203.047868 142.2
[M-H]- 179.051374 136.9
[M+NH4]+ 198.092473 152.9
[M+K]+ 219.021808 140.7
[M+H-H2O]+ 163.055910 126.3
[M+HCOO]- 225.056851 152.5
[M+CH3COO]- 239.072501 181.7
[M+Na-2H]- 201.033316 139.8
[M]+ 180.05810142 131.6
[M]- 180.05919858 131.6
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