CID 4199879

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

Structural Information

Molecular Formula
C15H11Cl3FIN2O
SMILES
C1=CC(=CC(=C1)I)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)F
InChI
InChI=1S/C15H11Cl3FIN2O/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
VCHQJAQPSXARAG-UHFFFAOYSA-N
Compound name
3-iodo-N-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.89658 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.90386 188.1
[M+Na]+ 508.88580 188.7
[M-H]- 484.88930 184.7
[M+NH4]+ 503.93040 196.3
[M+K]+ 524.85974 187.3
[M+H-H2O]+ 468.89384 178.3
[M+HCOO]- 530.89478 190.7
[M+CH3COO]- 544.91043 223.1
[M+Na-2H]- 506.87125 178.8
[M]+ 485.89603 186.6
[M]- 485.89713 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.