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 160.0
[M+Na]+ 298.02412 168.8
[M-H]- 274.02762 169.1
[M+NH4]+ 293.06872 176.7
[M+K]+ 313.99806 166.2
[M+H-H2O]+ 258.03216 154.0
[M+HCOO]- 320.03310 177.8
[M+CH3COO]- 334.04875 173.0
[M+Na-2H]- 296.00957 166.1
[M]+ 275.03435 163.7
[M]- 275.03545 163.7
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.