CID 16529

Methyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

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

InChI

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

InChIKey

SEPMCAVKHUPSMA-UHFFFAOYSA-N

Compound name

methyl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 20
Patents: 185.02435 Da
Monoisotopic Mass: 2.6
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]+	186.03163	134.9
[M+Na]+	208.01357	147.8
[M+NH4]+	203.05817	143.5
[M+K]+	223.98751	141.5
[M-H]-	184.01707	137.2
[M+Na-2H]-	205.99902	142.2
[M]+	185.02380	137.6
[M]-	185.02490	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe