CID 43337502

6-(2,6-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C15H10F2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H10F2O3/c16-10-2-1-3-11(17)14(10)15(18)9-4-5-12-13(8-9)20-7-6-19-12/h1-5,8H,6-7H2
InChIKey
UWWFHJZRQCZMOS-UHFFFAOYSA-N
Compound name
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06708 158.5
[M+Na]+ 299.04902 167.2
[M-H]- 275.05252 165.0
[M+NH4]+ 294.09362 172.8
[M+K]+ 315.02296 165.5
[M+H-H2O]+ 259.05706 149.1
[M+HCOO]- 321.05800 175.3
[M+CH3COO]- 335.07365 170.5
[M+Na-2H]- 297.03447 164.0
[M]+ 276.05925 157.1
[M]- 276.06035 157.1
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.