CID 308066

2,2,2-trichloro-n-(3,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₄Cl₅NO

SMILES

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

InChI

InChI=1S/C8H4Cl5NO/c9-5-2-1-4(3-6(5)10)14-7(15)8(11,12)13/h1-3H,(H,14,15)

InChIKey

HOLWKHGHTNFTIB-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-(3,4-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 304.87357 Da
Monoisotopic Mass: 4.3
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]+	305.88085	160.8
[M+Na]+	327.86279	169.2
[M-H]-	303.86629	159.5
[M+NH4]+	322.90739	175.6
[M+K]+	343.83673	163.8
[M+H-H2O]+	287.87083	158.6
[M+HCOO]-	349.87177	158.0
[M+CH3COO]-	363.88742	202.6
[M+Na-2H]-	325.84824	161.7
[M]+	304.87302	160.1
[M]-	304.87412	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe