CID 11637604

59908-77-9

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₄

SMILES

COC1=CC(=C(C=C1)OC)C(=O)CNC(=O)CCl

InChI

InChI=1S/C12H14ClNO4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)

InChIKey

FGAJXUVYQBZJHH-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 271.06113 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]+	272.06841	157.3
[M+Na]+	294.05035	168.4
[M+NH4]+	289.09495	163.6
[M+K]+	310.02429	163.2
[M-H]-	270.05385	157.9
[M+Na-2H]-	292.03580	161.8
[M]+	271.06058	159.0
[M]-	271.06168	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe