CID 2788330

N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C15H12FNO3
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C15H12FNO3/c16-10-5-7-11(8-6-10)17-15(18)14-9-19-12-3-1-2-4-13(12)20-14/h1-8,14H,9H2,(H,17,18)
InChIKey
QMLPLBJSVIAAKJ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

273.0801 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08738 159.5
[M+Na]+ 296.06932 166.3
[M-H]- 272.07282 166.8
[M+NH4]+ 291.11392 173.3
[M+K]+ 312.04326 164.9
[M+H-H2O]+ 256.07736 150.5
[M+HCOO]- 318.07830 178.3
[M+CH3COO]- 332.09395 171.1
[M+Na-2H]- 294.05477 166.7
[M]+ 273.07955 158.0
[M]- 273.08065 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.