CID 2728

Chlorpropham

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

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

InChI

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

InChIKey

CWJSHJJYOPWUGX-UHFFFAOYSA-N

Compound name

propan-2-yl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 147
References: 21066
Patents: 213.05565 Da
Monoisotopic Mass: 3.5
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	152.1
[M-H]-	212.04837	148.2
[M+NH4]+	231.08947	163.9
[M+K]+	252.01881	149.3
[M+H-H2O]+	196.05291	139.3
[M+HCOO]-	258.05385	163.9
[M+CH3COO]-	272.06950	187.7
[M+Na-2H]-	234.03032	148.7
[M]+	213.05510	147.2
[M]-	213.05620	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe