CID 1808402

Butyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-2-3-8-15-11(14)13-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,13,14)

InChIKey

LNDRNLATBCUCDB-UHFFFAOYSA-N

Compound name

butyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 227.0713 Da
Monoisotopic Mass: 3.9
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]+	228.07858	148.6
[M+Na]+	250.06052	160.9
[M+NH4]+	245.10512	156.7
[M+K]+	266.03446	153.8
[M-H]-	226.06402	150.8
[M+Na-2H]-	248.04597	155.0
[M]+	227.07075	151.1
[M]-	227.07185	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe