CID 43803363

2-(2,4-dichlorophenyl)-2-(morpholin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃Cl₂NO₃

SMILES

C1COCCN1C(C2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H13Cl2NO3/c13-8-1-2-9(10(14)7-8)11(12(16)17)15-3-5-18-6-4-15/h1-2,7,11H,3-6H2,(H,16,17)

InChIKey

MHBUPVNBRFBBHG-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.02725 Da
Monoisotopic Mass: 0.2
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]+	290.034526	158.9
[M+Na]+	312.016468	165.4
[M-H]-	288.019974	162.3
[M+NH4]+	307.061073	172.1
[M+K]+	327.990408	161.7
[M+H-H2O]+	272.024510	152.7
[M+HCOO]-	334.025451	165.1
[M+CH3COO]-	348.041101	194.9
[M+Na-2H]-	310.001916	160.6
[M]+	289.02670142	158.8
[M]-	289.02779858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.