CID 12441890

17356-61-5

Structural Information

Molecular Formula

C₈H₈Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C8H8Cl2N2O2/c1-14-12-8(13)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)

InChIKey

QDSJDNUSIBDVMS-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-3-methoxyurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 233.99628 Da
Monoisotopic Mass: 3.0
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]+	235.00356	144.9
[M+Na]+	256.98550	157.4
[M+NH4]+	252.03010	153.0
[M+K]+	272.95944	150.9
[M-H]-	232.98900	147.2
[M+Na-2H]-	254.97095	151.5
[M]+	233.99573	147.7
[M]-	233.99683	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe