CID 180056

Propyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CCCOC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H12ClNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)

InChIKey

FPYIZGDCCIJIMZ-UHFFFAOYSA-N

Compound name

propyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 213.05565 Da
Monoisotopic Mass: 3.4
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	144.4
[M+Na]+	236.04487	152.4
[M-H]-	212.04837	148.1
[M+NH4]+	231.08947	163.9
[M+K]+	252.01881	149.0
[M+H-H2O]+	196.05291	139.2
[M+HCOO]-	258.05385	164.8
[M+CH3COO]-	272.06950	186.8
[M+Na-2H]-	234.03032	149.9
[M]+	213.05510	147.7
[M]-	213.05620	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe