CID 17491

Mephenate

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

CNC(=O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)

InChIKey

WMMQJAQJAPXWDO-UHFFFAOYSA-N

Compound name

(4-chlorophenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7361
Patents: 185.02435 Da
Monoisotopic Mass: 2.0
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]+	186.031626	134.9
[M+Na]+	208.013568	143.8
[M-H]-	184.017074	139.0
[M+NH4]+	203.058173	155.6
[M+K]+	223.987508	141.0
[M+H-H2O]+	168.021610	130.2
[M+HCOO]-	230.022551	156.1
[M+CH3COO]-	244.038201	180.7
[M+Na-2H]-	205.999016	141.6
[M]+	185.02380142	137.6
[M]-	185.02489858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe