CID 5239814

N-(1-anilino-2,2,2-trichloroethyl)-3-iodobenzamide

Structural Information

Molecular Formula
C15H12Cl3IN2O
SMILES
C1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)I
InChI
InChI=1S/C15H12Cl3IN2O/c16-15(17,18)14(20-12-7-2-1-3-8-12)21-13(22)10-5-4-6-11(19)9-10/h1-9,14,20H,(H,21,22)
InChIKey
UJZWTUOUOXGMCF-UHFFFAOYSA-N
Compound name
N-(1-anilino-2,2,2-trichloroethyl)-3-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.90598 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.91326 187.7
[M+Na]+ 490.89520 187.4
[M-H]- 466.89870 185.2
[M+NH4]+ 485.93980 196.3
[M+K]+ 506.86914 186.3
[M+H-H2O]+ 450.90324 178.5
[M+HCOO]- 512.90418 191.2
[M+CH3COO]- 526.91983 219.7
[M+Na-2H]- 488.88065 179.3
[M]+ 467.90543 186.6
[M]- 467.90653 186.6
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.