CID 5074599

3-chloro-n-[2,2,2-trichloro-1-(2,4-dimethylanilino)ethyl]benzamide

Structural Information

Molecular Formula
C17H16Cl4N2O
SMILES
CC1=CC(=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C17H16Cl4N2O/c1-10-6-7-14(11(2)8-10)22-16(17(19,20)21)23-15(24)12-4-3-5-13(18)9-12/h3-9,16,22H,1-2H3,(H,23,24)
InChIKey
OUPXVOBPZQXGGB-UHFFFAOYSA-N
Compound name
3-chloro-N-[2,2,2-trichloro-1-(2,4-dimethylanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.00168 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.00896 189.2
[M+Na]+ 426.99090 196.5
[M-H]- 402.99440 192.4
[M+NH4]+ 422.03550 201.1
[M+K]+ 442.96484 189.5
[M+H-H2O]+ 386.99894 184.5
[M+HCOO]- 448.99988 191.0
[M+CH3COO]- 463.01553 223.3
[M+Na-2H]- 424.97635 188.8
[M]+ 404.00113 191.7
[M]- 404.00223 191.7
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.