CID 3063527

101018-97-7

Structural Information

Molecular Formula
C15H11FO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H11FO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2
InChIKey
VUFMHALBFUZFAA-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0692 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07648 157.1
[M+Na]+ 281.05842 171.7
[M+NH4]+ 276.10302 165.5
[M+K]+ 297.03236 164.7
[M-H]- 257.06192 163.1
[M+Na-2H]- 279.04387 164.0
[M]+ 258.06865 161.0
[M]- 258.06975 161.0
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

No patent data available for this compound.