CID 40032

Cloethocarb

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₄

SMILES

CNC(=O)OC1=CC=CC=C1OC(CCl)OC

InChI

InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)

InChIKey

PITWUHDDNUVBPT-UHFFFAOYSA-N

Compound name

[2-(2-chloro-1-methoxyethoxy)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 11736
Patents: 259.06113 Da
Monoisotopic Mass: 1.3
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]+	260.06841	154.1
[M+Na]+	282.05035	165.0
[M+NH4]+	277.09495	160.9
[M+K]+	298.02429	159.9
[M-H]-	258.05385	155.0
[M+Na-2H]-	280.03580	159.2
[M]+	259.06058	155.9
[M]-	259.06168	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe