CID 92300

35409-97-3

Structural Information

Molecular Formula
C14H9Cl3N2O2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
InChIKey
BTYQXKURSPAXLT-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

807
Patents

341.97296 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98024 171.8
[M+Na]+ 364.96218 180.7
[M-H]- 340.96568 177.1
[M+NH4]+ 360.00678 186.3
[M+K]+ 380.93612 174.1
[M+H-H2O]+ 324.97022 166.8
[M+HCOO]- 386.97116 182.1
[M+CH3COO]- 400.98681 210.5
[M+Na-2H]- 362.94763 173.7
[M]+ 341.97241 174.9
[M]- 341.97351 174.9
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

patents stripe