CID 28669

17641-10-0

Structural Information

Molecular Formula

C₁₀H₉Cl₂NO₃

SMILES

C1=CC(=CC=C1NC(=O)CCl)OC(=O)CCl

InChI

InChI=1S/C10H9Cl2NO3/c11-5-9(14)13-7-1-3-8(4-2-7)16-10(15)6-12/h1-4H,5-6H2,(H,13,14)

InChIKey

NCHAQEGVLDMYGR-UHFFFAOYSA-N

Compound name

[4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.99594 Da
Monoisotopic Mass: 1.5
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]+	262.003216	151.1
[M+Na]+	283.985158	159.4
[M-H]-	259.988664	154.3
[M+NH4]+	279.029763	168.9
[M+K]+	299.959098	155.1
[M+H-H2O]+	243.993200	146.8
[M+HCOO]-	305.994141	166.0
[M+CH3COO]-	320.009791	193.4
[M+Na-2H]-	281.970606	154.9
[M]+	260.99539142	155.8
[M]-	260.99648858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.