CID 732530

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

Structural Information

Molecular Formula
C15H11Cl2NO3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2NO3/c16-9-1-3-11(12(17)7-9)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKey
NWLIRTODYXHMOA-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

323.0116 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.01888 170.4
[M+Na]+ 346.00082 179.1
[M-H]- 322.00432 178.4
[M+NH4]+ 341.04542 183.9
[M+K]+ 361.97476 175.6
[M+H-H2O]+ 306.00886 164.0
[M+HCOO]- 368.00980 180.6
[M+CH3COO]- 382.02545 181.7
[M+Na-2H]- 343.98627 176.1
[M]+ 323.01105 174.2
[M]- 323.01215 174.2
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.