CID 645618

4-chloro-n-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

Structural Information

Molecular Formula
C16H14ClNO3
SMILES
C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H14ClNO3/c17-12-7-5-11(6-8-12)16(19)18-9-13-10-20-14-3-1-2-4-15(14)21-13/h1-8,13H,9-10H2,(H,18,19)
InChIKey
VQEGHBUQNBKNNQ-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

303.06622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.073496 168.3
[M+Na]+ 326.055438 175.3
[M-H]- 302.058944 176.5
[M+NH4]+ 321.100043 181.8
[M+K]+ 342.029378 172.6
[M+H-H2O]+ 286.063480 160.8
[M+HCOO]- 348.064421 183.2
[M+CH3COO]- 362.080071 179.6
[M+Na-2H]- 324.040886 175.0
[M]+ 303.06567142 170.5
[M]- 303.06676858 170.5
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

No patent data available for this compound.