CID 19549

2-chloroethyl n-phenylcarbamate

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

C1=CC=C(C=C1)NC(=O)OCCCl

InChI

InChI=1S/C9H10ClNO2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

InChIKey

QYQGDFBVSZVCKQ-UHFFFAOYSA-N

Compound name

2-chloroethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 199.04001 Da
Monoisotopic Mass: 2.5
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]+	200.04729	140.0
[M+Na]+	222.02923	147.5
[M-H]-	198.03273	143.5
[M+NH4]+	217.07383	159.8
[M+K]+	238.00317	144.4
[M+H-H2O]+	182.03727	134.8
[M+HCOO]-	244.03821	160.8
[M+CH3COO]-	258.05386	182.6
[M+Na-2H]-	220.01468	146.8
[M]+	199.03946	142.6
[M]-	199.04056	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe