CID 4151547

N-(1-(4-bromoanilino)-2,2,2-trichloroethyl)-3-iodobenzamide

Structural Information

Molecular Formula
C15H11BrCl3IN2O
SMILES
C1=CC(=CC(=C1)I)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H11BrCl3IN2O/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
LDFRUWNVISBCCP-UHFFFAOYSA-N
Compound name
N-[1-(4-bromoanilino)-2,2,2-trichloroethyl]-3-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.8165 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.82378 193.3
[M+Na]+ 568.80572 197.1
[M-H]- 544.80922 193.6
[M+NH4]+ 563.85032 203.1
[M+K]+ 584.77966 187.5
[M+H-H2O]+ 528.81376 189.4
[M+HCOO]- 590.81470 195.1
[M+CH3COO]- 604.83035 227.4
[M+Na-2H]- 566.79117 186.1
[M]+ 545.81595 209.1
[M]- 545.81705 209.1
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.