CID 5119115

1-(4-bromophenyl)-3-methoxyurea

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CONC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)
InChIKey
NPLWLNIXIWUSKD-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-methoxyurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

243.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 142.4
[M+Na]+ 266.973958 152.2
[M-H]- 242.977464 148.6
[M+NH4]+ 262.018563 162.7
[M+K]+ 282.947898 141.7
[M+H-H2O]+ 226.982000 140.9
[M+HCOO]- 288.982941 166.0
[M+CH3COO]- 302.998591 191.8
[M+Na-2H]- 264.959406 150.4
[M]+ 243.98419142 160.4
[M]- 243.98528858 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe