CID 732526

4-bromo-n-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Structural Information

Molecular Formula
C15H12BrNO3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H12BrNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18)
InChIKey
WTWQIRJUIIBKBL-UHFFFAOYSA-N
Compound name
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

333.00006 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00734 169.5
[M+Na]+ 355.98928 178.3
[M-H]- 331.99278 180.0
[M+NH4]+ 351.03388 184.6
[M+K]+ 371.96322 169.6
[M+H-H2O]+ 315.99732 167.6
[M+HCOO]- 377.99826 186.8
[M+CH3COO]- 392.01391 182.4
[M+Na-2H]- 353.97473 177.5
[M]+ 332.99951 187.5
[M]- 333.00061 187.5
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.