CID 35857

Acetanilide, dichloro-

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

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

InChI

InChI=1S/C8H7Cl2NO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)

InChIKey

KJSVAEGLTPBKAA-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 106
Patents: 202.99046 Da
Monoisotopic Mass: 2.3
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]+	203.99774	138.3
[M+Na]+	225.97968	146.2
[M-H]-	201.98318	141.2
[M+NH4]+	221.02428	158.1
[M+K]+	241.95362	141.7
[M+H-H2O]+	185.98772	134.2
[M+HCOO]-	247.98866	153.0
[M+CH3COO]-	262.00431	183.9
[M+Na-2H]-	223.96513	143.6
[M]+	202.98991	139.6
[M]-	202.99101	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe