CID 3641272

3-iodo-n-(2,2,2-trichloro-1-(4-chloroanilino)ethyl)benzamide

Structural Information

Molecular Formula
C15H11Cl4IN2O
SMILES
C1=CC(=CC(=C1)I)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11Cl4IN2O/c16-10-4-6-12(7-5-10)21-14(15(17,18)19)22-13(23)9-2-1-3-11(20)8-9/h1-8,14,21H,(H,22,23)
InChIKey
OLILFGIWDPUSEV-UHFFFAOYSA-N
Compound name
3-iodo-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.86703 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.87431 190.8
[M+Na]+ 524.85625 191.2
[M-H]- 500.85975 187.3
[M+NH4]+ 519.90085 198.4
[M+K]+ 540.83019 189.9
[M+H-H2O]+ 484.86429 182.5
[M+HCOO]- 546.86523 189.3
[M+CH3COO]- 560.88088 225.1
[M+Na-2H]- 522.84170 181.2
[M]+ 501.86648 189.8
[M]- 501.86758 189.8
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.