CID 71925251

1394764-23-8

Structural Information

Molecular Formula

C₈H₉BrN₂O₂

SMILES

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

InChI

InChI=1S/C8H9BrN2O2/c1-13-7-4-5(11-8(10)12)2-3-6(7)9/h2-4H,1H3,(H3,10,11,12)

InChIKey

JPWYCOZPDOEBIO-UHFFFAOYSA-N

Compound name

(4-bromo-3-methoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.98474 Da
Monoisotopic Mass: 1.4
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]+	244.99202	142.9
[M+Na]+	266.97396	153.4
[M-H]-	242.97746	148.8
[M+NH4]+	262.01856	163.0
[M+K]+	282.94790	142.5
[M+H-H2O]+	226.98200	141.4
[M+HCOO]-	288.98294	165.8
[M+CH3COO]-	302.99859	193.0
[M+Na-2H]-	264.95941	149.1
[M]+	243.98419	160.3
[M]-	243.98529	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe