CID 3103477

4-methyl-n-(2,2,2-trichloro-1-(2,4-dichloroanilino)ethyl)benzamide

Structural Information

Molecular Formula
C16H13Cl5N2O
SMILES
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl5N2O/c1-9-2-4-10(5-3-9)14(24)23-15(16(19,20)21)22-13-7-6-11(17)8-12(13)18/h2-8,15,22H,1H3,(H,23,24)
InChIKey
JVZJLYDDXNOJFE-UHFFFAOYSA-N
Compound name
4-methyl-N-[2,2,2-trichloro-1-(2,4-dichloroanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.94705 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.95433 199.6
[M+Na]+ 446.93627 212.5
[M+NH4]+ 441.98087 206.3
[M+K]+ 462.91021 203.5
[M-H]- 422.93977 202.0
[M+Na-2H]- 444.92172 205.1
[M]+ 423.94650 203.4
[M]- 423.94760 203.4
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.