CID 95015

N-(5-bromo-2-furoyl)urea

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
C1=C(OC(=C1)Br)C(=O)NC(=O)N
InChI
InChI=1S/C6H5BrN2O3/c7-4-2-1-3(12-4)5(10)9-6(8)11/h1-2H,(H3,8,9,10,11)
InChIKey
KAWFUNANWRHZDH-UHFFFAOYSA-N
Compound name
5-bromo-N-carbamoylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95563 142.2
[M+Na]+ 254.93757 152.7
[M-H]- 230.94107 148.8
[M+NH4]+ 249.98217 162.9
[M+K]+ 270.91151 143.5
[M+H-H2O]+ 214.94561 140.8
[M+HCOO]- 276.94655 165.0
[M+CH3COO]- 290.96220 187.7
[M+Na-2H]- 252.92302 147.6
[M]+ 231.94780 159.7
[M]- 231.94890 159.7
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.