CID 220683

Isopropyl n-(2-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC(C)OC(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)

InChIKey

YLZUJFLALUCJQI-UHFFFAOYSA-N

Compound name

propan-2-yl N-(2-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 213.05565 Da
Monoisotopic Mass: 2.9
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]+	214.06293	144.2
[M+Na]+	236.04487	156.3
[M+NH4]+	231.08947	152.4
[M+K]+	252.01881	150.3
[M-H]-	212.04837	146.2
[M+Na-2H]-	234.03032	150.5
[M]+	213.05510	146.6
[M]-	213.05620	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe