CID 669588

N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClNO3/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKey
FDFPTRMBOYUKQW-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

275.0349 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 158.2
[M+Na]+ 298.02412 172.6
[M+NH4]+ 293.06872 167.3
[M+K]+ 313.99806 167.6
[M-H]- 274.02762 165.4
[M+Na-2H]- 296.00957 165.0
[M]+ 275.03435 162.7
[M]- 275.03545 162.7
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.