CID 587696

N-[2-iodoethyl]trifluoroacetamide

Structural Information

Molecular Formula

C₄H₅F₃INO

SMILES

C(CI)NC(=O)C(F)(F)F

InChI

InChI=1S/C4H5F3INO/c5-4(6,7)3(10)9-2-1-8/h1-2H2,(H,9,10)

InChIKey

QFRHEHPVTSCSIH-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(2-iodoethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 231
Patents: 266.9368 Da
Monoisotopic Mass: 1.8
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]+	267.944076	138.6
[M+Na]+	289.926018	139.3
[M-H]-	265.929524	128.9
[M+NH4]+	284.970623	154.2
[M+K]+	305.899958	144.3
[M+H-H2O]+	249.934060	128.2
[M+HCOO]-	311.935001	153.6
[M+CH3COO]-	325.950651	186.6
[M+Na-2H]-	287.911466	131.7
[M]+	266.93625142	131.9
[M]-	266.93734858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe