CID 32842

Methyl (3,5-dichlorophenyl)carbamate

Structural Information

Molecular Formula

C₈H₇Cl₂NO₂

SMILES

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

InChI

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

InChIKey

FRSRGACXHCLBTC-UHFFFAOYSA-N

Compound name

methyl N-(3,5-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 218.98538 Da
Monoisotopic Mass: 3.2
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	154.1
[M+NH4]+	237.01920	149.0
[M+K]+	257.94854	147.3
[M-H]-	217.97810	142.5
[M+Na-2H]-	239.96005	147.3
[M]+	218.98483	143.4
[M]-	218.98593	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe