CID 42082

2-(2-chlorophenyl)allophanic acid ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₃

SMILES

CCOC(=O)N(C1=CC=CC=C1Cl)C(=O)N

InChI

InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13(9(12)14)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,14)

InChIKey

DIPOJLBMCDRHCA-UHFFFAOYSA-N

Compound name

ethyl N-carbamoyl-N-(2-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 242.04582 Da
Monoisotopic Mass: 2.4
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]+	243.05310	150.4
[M+Na]+	265.03504	160.6
[M+NH4]+	260.07964	157.2
[M+K]+	281.00898	156.2
[M-H]-	241.03854	151.9
[M+Na-2H]-	263.02049	155.5
[M]+	242.04527	152.2
[M]-	242.04637	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe