CID 190277

Urea, n'-(4-chlorophenyl)-n-formyl-n-methyl-

Structural Information

Molecular Formula

C₉H₉ClN₂O₂

SMILES

CN(C=O)C(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H9ClN2O2/c1-12(6-13)9(14)11-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,14)

InChIKey

SIAQSJWZRNNRPJ-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)carbamoyl]-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.03525 Da
Monoisotopic Mass: 2.3
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]+	213.042526	143.1
[M+Na]+	235.024468	151.0
[M-H]-	211.027974	148.4
[M+NH4]+	230.069073	162.8
[M+K]+	250.998408	148.7
[M+H-H2O]+	195.032510	137.5
[M+HCOO]-	257.033451	165.6
[M+CH3COO]-	271.049101	191.3
[M+Na-2H]-	233.009916	148.6
[M]+	212.03470142	145.9
[M]-	212.03579858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe