CID 115209

Vinclozolin m2

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO₂

SMILES

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

InChI

InChI=1S/C11H11Cl2NO2/c1-3-11(2,16)10(15)14-9-5-7(12)4-8(13)6-9/h3-6,16H,1H2,2H3,(H,14,15)

InChIKey

FBYYIBNYONAZCU-UHFFFAOYSA-N

Compound name

N-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 3
Patents: 259.0167 Da
Monoisotopic Mass: 2.7
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]+	260.02398	153.5
[M+Na]+	282.00592	162.5
[M-H]-	258.00942	155.7
[M+NH4]+	277.05052	171.1
[M+K]+	297.97986	156.5
[M+H-H2O]+	242.01396	150.1
[M+HCOO]-	304.01490	165.7
[M+CH3COO]-	318.03055	193.2
[M+Na-2H]-	279.99137	157.3
[M]+	259.01615	155.7
[M]-	259.01725	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe