CID 16520

2150-28-9

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO₂

SMILES

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

InChI

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

InChIKey

NLBTXMFJUAESAC-UHFFFAOYSA-N

Compound name

propan-2-yl N-(3,4-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 247.01668 Da
Monoisotopic Mass: 4.3
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	149.6
[M+Na]+	270.00590	162.6
[M+NH4]+	265.05050	157.8
[M+K]+	285.97984	156.1
[M-H]-	246.00940	151.5
[M+Na-2H]-	267.99135	155.7
[M]+	247.01613	152.5
[M]-	247.01723	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe