CID 4226104

96445-19-1

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

CC1=CC(=CC=C1)NC(=O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNO2/c1-10-3-2-4-12(9-10)16-14(17)18-13-7-5-11(15)6-8-13/h2-9H,1H3,(H,16,17)

InChIKey

QBENWZACIVFTEX-UHFFFAOYSA-N

Compound name

(4-chlorophenyl) N-(3-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 261.05566 Da
Monoisotopic Mass: 4.6
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]+	262.06294	156.7
[M+Na]+	284.04488	171.8
[M+NH4]+	279.08948	165.6
[M+K]+	300.01882	163.6
[M-H]-	260.04838	161.7
[M+Na-2H]-	282.03033	166.3
[M]+	261.05511	160.6
[M]-	261.05621	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe