CID 40543

Isopropyl n-(2,4,5-trichlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO₂

SMILES

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

InChI

InChI=1S/C10H10Cl3NO2/c1-5(2)16-10(15)14-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3,(H,14,15)

InChIKey

KBPISZYZLAIVBF-UHFFFAOYSA-N

Compound name

propan-2-yl N-(2,4,5-trichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.97772 Da
Monoisotopic Mass: 4.2
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]+	281.984996	154.4
[M+Na]+	303.966938	164.2
[M-H]-	279.970444	157.0
[M+NH4]+	299.011543	172.1
[M+K]+	319.940878	159.1
[M+H-H2O]+	263.974980	151.5
[M+HCOO]-	325.975921	163.4
[M+CH3COO]-	339.991571	199.7
[M+Na-2H]-	301.952386	155.7
[M]+	280.97717142	159.1
[M]-	280.97826858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.