CID 25912

Chlorbromuron

Structural Information

Molecular Formula

C₉H₁₀BrClN₂O₂

SMILES

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

InChI

InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

InChIKey

NLYNUTMZTCLNOO-UHFFFAOYSA-N

Compound name

3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 19
References: 15169
Patents: 291.96143 Da
Monoisotopic Mass: 3.1
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]+	292.968706	152.1
[M+Na]+	314.950648	163.7
[M-H]-	290.954154	159.9
[M+NH4]+	309.995253	172.4
[M+K]+	330.924588	152.2
[M+H-H2O]+	274.958690	151.4
[M+HCOO]-	336.959631	171.6
[M+CH3COO]-	350.975281	202.5
[M+Na-2H]-	312.936096	158.0
[M]+	291.96088142	174.0
[M]-	291.96197858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe