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 191.2
[M+Na]+ 446.93627 197.9
[M-H]- 422.93977 192.3
[M+NH4]+ 441.98087 201.5
[M+K]+ 462.91021 191.6
[M+H-H2O]+ 406.94431 187.0
[M+HCOO]- 468.94525 187.8
[M+CH3COO]- 482.96090 225.4
[M+Na-2H]- 444.92172 189.6
[M]+ 423.94650 191.8
[M]- 423.94760 191.8
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.