CID 190300

2-[(3,5-dichlorophenyl)formamido]-2-methylpropanoic acid

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO₃

SMILES

CC(C)(C(=O)O)NC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C11H11Cl2NO3/c1-11(2,10(16)17)14-9(15)6-3-7(12)5-8(13)4-6/h3-5H,1-2H3,(H,14,15)(H,16,17)

InChIKey

QKCTTYONJNFOSV-UHFFFAOYSA-N

Compound name

2-[(3,5-dichlorobenzoyl)amino]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.0116 Da
Monoisotopic Mass: 2.6
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]+	276.018876	154.8
[M+Na]+	298.000818	163.5
[M-H]-	274.004324	157.2
[M+NH4]+	293.045423	171.7
[M+K]+	313.974758	158.6
[M+H-H2O]+	258.008860	151.5
[M+HCOO]-	320.009801	166.4
[M+CH3COO]-	334.025451	196.1
[M+Na-2H]-	295.986266	157.8
[M]+	275.01105142	158.0
[M]-	275.01214858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.