CID 24213862

1078611-21-8

Structural Information

Molecular Formula

C₉H₉Cl₂NO₂

SMILES

COC(=O)C(C1=CC(=C(C=C1)Cl)Cl)N

InChI

InChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3

InChIKey

LKSNQOTUSKXUBR-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(3,4-dichlorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 233.00104 Da
Monoisotopic Mass: 2.2
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]+	234.00832	145.1
[M+Na]+	255.99026	158.0
[M+NH4]+	251.03486	153.3
[M+K]+	271.96420	151.9
[M-H]-	231.99376	146.8
[M+Na-2H]-	253.97571	150.9
[M]+	233.00049	147.8
[M]-	233.00159	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe