CID 584152

2,2,2-trichloro-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula

C₉H₈Cl₃NO

SMILES

CC1=CC=CC=C1NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C9H8Cl3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)

InChIKey

BZXIBNBKWPPYDN-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-(2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.96715 Da
Monoisotopic Mass: 2.7
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]+	251.97443	151.9
[M+Na]+	273.95637	165.2
[M+NH4]+	269.00097	160.4
[M+K]+	289.93031	157.9
[M-H]-	249.95987	153.4
[M+Na-2H]-	271.94182	158.6
[M]+	250.96660	155.1
[M]-	250.96770	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe