CID 4046615

1-(4-bromophenyl)-3-ethylurea

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
CCNC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11BrN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKey
GUNDEIBZUWFUQA-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

242.00548 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.012756 144.7
[M+Na]+ 264.994698 154.2
[M-H]- 240.998204 150.7
[M+NH4]+ 260.039303 165.1
[M+K]+ 280.968638 142.9
[M+H-H2O]+ 225.002740 143.2
[M+HCOO]- 287.003681 167.8
[M+CH3COO]- 301.019331 192.7
[M+Na-2H]- 262.980146 152.1
[M]+ 242.00493142 161.7
[M]- 242.00602858 161.7
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