CID 853708

2-chloro-n-(4-chlorobenzyl)benzamide

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9H2,(H,17,18)
InChIKey
NYMXRCCHQVWRJT-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-chlorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

279.02176 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.029036 159.3
[M+Na]+ 302.010978 168.2
[M-H]- 278.014484 165.3
[M+NH4]+ 297.055583 176.3
[M+K]+ 317.984918 161.4
[M+H-H2O]+ 262.019020 153.5
[M+HCOO]- 324.019961 174.4
[M+CH3COO]- 338.035611 198.7
[M+Na-2H]- 299.996426 163.7
[M]+ 279.02121142 162.1
[M]- 279.02230858 162.1
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

patents stripe