CID 5225622

N-(2,3-dimethylphenyl)-2-iodoacetamide

Structural Information

Molecular Formula

C₁₀H₁₂INO

SMILES

CC1=C(C(=CC=C1)NC(=O)CI)C

InChI

InChI=1S/C10H12INO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey

NBJJOGNDMHFQDF-UHFFFAOYSA-N

Compound name

N-(2,3-dimethylphenyl)-2-iodoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 288.99637 Da
Monoisotopic Mass: 2.0
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]+	290.00365	151.3
[M+Na]+	311.98559	155.7
[M+NH4]+	307.03019	155.2
[M+K]+	327.95953	152.5
[M-H]-	287.98909	147.5
[M+Na-2H]-	309.97104	144.7
[M]+	288.99582	149.7
[M]-	288.99692	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe