CID 18290

Metobromuron

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CN(C(=O)NC1=CC=C(C=C1)Br)OC
InChI
InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
WLFDQEVORAMCIM-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-methoxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

29
References

15292
Patents

258.0004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 147.2
[M+Na]+ 280.98962 156.8
[M-H]- 256.99312 154.7
[M+NH4]+ 276.03422 167.6
[M+K]+ 296.96356 147.4
[M+H-H2O]+ 240.99766 145.4
[M+HCOO]- 302.99860 171.0
[M+CH3COO]- 317.01425 197.9
[M+Na-2H]- 278.97507 154.0
[M]+ 257.99985 166.8
[M]- 258.00095 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.