CID 294178

Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-

Structural Information

Molecular Formula
C10H11BrN2O3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)NCCBr
InChI
InChI=1S/C10H11BrN2O3/c11-3-4-12-10(14)13-7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H2,12,13,14)
InChIKey
RDCOKGWXWNQHHF-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9953 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.002576 158.1
[M+Na]+ 308.984518 167.3
[M-H]- 284.988024 165.8
[M+NH4]+ 304.029123 176.7
[M+K]+ 324.958458 158.7
[M+H-H2O]+ 268.992560 156.8
[M+HCOO]- 330.993501 178.6
[M+CH3COO]- 345.009151 197.7
[M+Na-2H]- 306.969966 166.1
[M]+ 285.99475142 177.5
[M]- 285.99584858 177.5
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.