CID 4594664

O-(n-(2-chlorophenyl)carbamoyl)cyclohexanone oxime

Structural Information

Molecular Formula

C₁₃H₁₅ClN₂O₂

SMILES

C1CCC(=NOC(=O)NC2=CC=CC=C2Cl)CC1

InChI

InChI=1S/C13H15ClN2O2/c14-11-8-4-5-9-12(11)15-13(17)18-16-10-6-2-1-3-7-10/h4-5,8-9H,1-3,6-7H2,(H,15,17)

InChIKey

YZUVWOUXMFFAQG-UHFFFAOYSA-N

Compound name

(cyclohexylideneamino) N-(2-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.0822 Da
Monoisotopic Mass: 3.3
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]+	267.089476	159.1
[M+Na]+	289.071418	163.9
[M-H]-	265.074924	166.1
[M+NH4]+	284.116023	176.0
[M+K]+	305.045358	160.2
[M+H-H2O]+	249.079460	151.8
[M+HCOO]-	311.080401	178.4
[M+CH3COO]-	325.096051	198.6
[M+Na-2H]-	287.056866	163.4
[M]+	266.08165142	157.2
[M]-	266.08274858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.