CID 4612356

Propyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO₂

SMILES

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

InChI

InChI=1S/C10H11Cl2NO2/c1-2-5-15-10(14)13-7-3-4-8(11)9(12)6-7/h3-4,6H,2,5H2,1H3,(H,13,14)

InChIKey

VNIWDHNEDXSXER-UHFFFAOYSA-N

Compound name

propyl N-(3,4-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.01668 Da
Monoisotopic Mass: 4.4
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]+	248.02396	149.8
[M+Na]+	270.00590	159.0
[M-H]-	246.00940	153.1
[M+NH4]+	265.05050	168.6
[M+K]+	285.97984	154.3
[M+H-H2O]+	230.01394	145.6
[M+HCOO]-	292.01488	165.1
[M+CH3COO]-	306.03053	192.5
[M+Na-2H]-	267.99135	153.9
[M]+	247.01613	154.6
[M]-	247.01723	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe