CID 119359

119209-27-7

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂NO₄

SMILES

CC(C=C)(C(=O)O)OC(=O)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H11Cl2NO4/c1-3-12(2,10(16)17)19-11(18)15-9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3,(H,15,18)(H,16,17)

InChIKey

KTXGWKXVQGCPAR-UHFFFAOYSA-N

Compound name

2-[(3,5-dichlorophenyl)carbamoyloxy]-2-methylbut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 0
Patents: 303.0065 Da
Monoisotopic Mass: 3.4
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]+	304.013776	160.8
[M+Na]+	325.995718	169.3
[M-H]-	301.999224	163.2
[M+NH4]+	321.040323	176.5
[M+K]+	341.969658	164.3
[M+H-H2O]+	286.003760	157.2
[M+HCOO]-	348.004701	172.5
[M+CH3COO]-	362.020351	199.7
[M+Na-2H]-	323.981166	163.5
[M]+	303.00595142	165.1
[M]-	303.00704858	165.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.