CID 5067519

Methyl n-(2,6-dichlorophenyl)carbamate

Structural Information

Molecular Formula

C₈H₇Cl₂NO₂

SMILES

COC(=O)NC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,11,12)

InChIKey

ATABSDIEBKPYGM-UHFFFAOYSA-N

Compound name

methyl N-(2,6-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.98538 Da
Monoisotopic Mass: 1.7
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]+	219.99266	140.4
[M+Na]+	241.97460	150.5
[M-H]-	217.97810	144.1
[M+NH4]+	237.01920	160.4
[M+K]+	257.94854	146.2
[M+H-H2O]+	201.98264	136.7
[M+HCOO]-	263.98358	156.4
[M+CH3COO]-	277.99923	186.6
[M+Na-2H]-	239.96005	145.6
[M]+	218.98483	144.5
[M]-	218.98593	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe