CID 5220869

4-chloro-n-(2,4-dichlorobenzyl)benzamide

Structural Information

Molecular Formula
C14H10Cl3NO
SMILES
C1=CC(=CC=C1C(=O)NCC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3NO/c15-11-4-1-9(2-5-11)14(19)18-8-10-3-6-12(16)7-13(10)17/h1-7H,8H2,(H,18,19)
InChIKey
HSDWZQUMGKIHBU-UHFFFAOYSA-N
Compound name
4-chloro-N-[(2,4-dichlorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.9828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99008 165.1
[M+Na]+ 335.97202 174.8
[M-H]- 311.97552 170.1
[M+NH4]+ 331.01662 181.1
[M+K]+ 351.94596 167.5
[M+H-H2O]+ 295.98006 160.1
[M+HCOO]- 357.98100 174.7
[M+CH3COO]- 371.99665 204.8
[M+Na-2H]- 333.95747 167.7
[M]+ 312.98225 168.6
[M]- 312.98335 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.