CID 54098046

53244-25-0

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

CCOC(=O)N(C1=CC=CC=C1)C(=O)Cl

InChI

InChI=1S/C10H10ClNO3/c1-2-15-10(14)12(9(11)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

MYNTXLIXPJMZQK-UHFFFAOYSA-N

Compound name

ethyl N-carbonochloridoyl-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 227.03493 Da
Monoisotopic Mass: 2.9
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]+	228.042206	146.1
[M+Na]+	250.024148	153.4
[M-H]-	226.027654	151.1
[M+NH4]+	245.068753	165.3
[M+K]+	265.998088	151.9
[M+H-H2O]+	210.032190	140.5
[M+HCOO]-	272.033131	166.6
[M+CH3COO]-	286.048781	190.5
[M+Na-2H]-	248.009596	150.5
[M]+	227.03438142	150.5
[M]-	227.03547858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe