CID 1797196

15238-38-7

Structural Information

Molecular Formula

C₈H₅Cl₃INO

SMILES

C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)I

InChI

InChI=1S/C8H5Cl3INO/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14)

InChIKey

VIZCGGJGPNRJFW-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-(4-iodophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 362.84814 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.85542	155.7
[M+Na]+	385.83736	158.0
[M-H]-	361.84086	151.3
[M+NH4]+	380.88196	169.1
[M+K]+	401.81130	158.1
[M+H-H2O]+	345.84540	149.0
[M+HCOO]-	407.84634	160.0
[M+CH3COO]-	421.86199	199.6
[M+Na-2H]-	383.82281	149.2
[M]+	362.84759	155.1
[M]-	362.84869	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe