CID 2060522

51114-26-2

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃

SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C12H14ClNO3/c1-2-17-12(16)9-14(11(15)8-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

SGQRYQFBLARGLN-UHFFFAOYSA-N

Compound name

ethyl 2-(N-(2-chloroacetyl)anilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 255.06622 Da
Monoisotopic Mass: 1.6
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]+	256.07350	155.4
[M+Na]+	278.05544	161.8
[M-H]-	254.05894	160.0
[M+NH4]+	273.10004	173.4
[M+K]+	294.02938	159.7
[M+H-H2O]+	238.06348	149.4
[M+HCOO]-	300.06442	175.2
[M+CH3COO]-	314.08007	197.1
[M+Na-2H]-	276.04089	158.7
[M]+	255.06567	160.6
[M]-	255.06677	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe