CID 3511125

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

Structural Information

Molecular Formula
C15H11Cl3I2N2O
SMILES
C1=CC(=CC(=C1)I)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)I
InChI
InChI=1S/C15H11Cl3I2N2O/c16-15(17,18)14(21-12-6-4-10(19)5-7-12)22-13(23)9-2-1-3-11(20)8-9/h1-8,14,21H,(H,22,23)
InChIKey
AQGWNUGRMGXRED-UHFFFAOYSA-N
Compound name
3-iodo-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.8026 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.80988 199.1
[M+Na]+ 616.79182 192.1
[M-H]- 592.79532 191.6
[M+NH4]+ 611.83642 202.2
[M+K]+ 632.76576 197.1
[M+H-H2O]+ 576.79986 187.4
[M+HCOO]- 638.80080 198.0
[M+CH3COO]- 652.81645 231.8
[M+Na-2H]- 614.77727 183.9
[M]+ 593.80205 195.7
[M]- 593.80315 195.7
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.