CID 731502

99821-68-8

Structural Information

Molecular Formula
C17H17Cl2NO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H17Cl2NO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-9-8-13(18)10-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKey
JUHRYXMMMHFEEW-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(2,6-diethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

321.06873 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.076006 172.7
[M+Na]+ 344.057948 182.1
[M-H]- 320.061454 178.9
[M+NH4]+ 339.102553 188.7
[M+K]+ 360.031888 174.9
[M+H-H2O]+ 304.065990 166.7
[M+HCOO]- 366.066931 186.8
[M+CH3COO]- 380.082581 209.8
[M+Na-2H]- 342.043396 174.1
[M]+ 321.06818142 177.3
[M]- 321.06927858 177.3
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.