CID 21093757

(2-chloro-5-methoxyphenyl)urea

Structural Information

Molecular Formula

C₈H₉ClN₂O₂

SMILES

COC1=CC(=C(C=C1)Cl)NC(=O)N

InChI

InChI=1S/C8H9ClN2O2/c1-13-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

InChIKey

YCZRZJHEFXHMKI-UHFFFAOYSA-N

Compound name

(2-chloro-5-methoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 200.03525 Da
Monoisotopic Mass: 0.6
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]+	201.04253	139.0
[M+Na]+	223.02447	150.7
[M+NH4]+	218.06907	146.9
[M+K]+	238.99841	145.1
[M-H]-	199.02797	141.4
[M+Na-2H]-	221.00992	145.2
[M]+	200.03470	141.4
[M]-	200.03580	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe