CID 220918

N-benzyl-2,4-dichlorobenzamide

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO/c15-11-6-7-12(13(16)8-11)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKey
MTCXGMSQPQEAEY-UHFFFAOYSA-N
Compound name
N-benzyl-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.02176 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.02904 160.1
[M+Na]+ 302.01098 176.1
[M+NH4]+ 297.05558 169.6
[M+K]+ 317.98492 166.6
[M-H]- 278.01448 165.4
[M+Na-2H]- 299.99643 169.9
[M]+ 279.02121 164.6
[M]- 279.02231 164.6
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

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