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]+ 334.007336 169.5
[M+Na]+ 355.989278 178.3
[M-H]- 331.992784 180.0
[M+NH4]+ 351.033883 184.6
[M+K]+ 371.963218 169.6
[M+H-H2O]+ 315.997320 167.6
[M+HCOO]- 377.998261 186.8
[M+CH3COO]- 392.013911 182.4
[M+Na-2H]- 353.974726 177.5
[M]+ 332.99951142 187.5
[M]- 333.00060858 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

literature stripe

Patent stripe

patents stripe