CID 203276

Crl 40,500

Structural Information

Molecular Formula

C₈H₈Cl₂N₂O₂

SMILES

C1=CC(=C(C=C1NCC(=O)NO)Cl)Cl

InChI

InChI=1S/C8H8Cl2N2O2/c9-6-2-1-5(3-7(6)10)11-4-8(13)12-14/h1-3,11,14H,4H2,(H,12,13)

InChIKey

RMRRVOJUHINZFO-UHFFFAOYSA-N

Compound name

2-(3,4-dichloroanilino)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 233.99628 Da
Monoisotopic Mass: 2.6
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]+	235.003556	145.5
[M+Na]+	256.985498	154.1
[M-H]-	232.989004	147.6
[M+NH4]+	252.030103	163.6
[M+K]+	272.959438	149.0
[M+H-H2O]+	216.993540	141.6
[M+HCOO]-	278.994481	161.0
[M+CH3COO]-	293.010131	189.8
[M+Na-2H]-	254.970946	150.3
[M]+	233.99573142	147.0
[M]-	233.99682858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe