CID 165755122

4-amino-3-bromo-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C4H4BrNO2
SMILES
C1C(=C(C(=O)O1)Br)N
InChI
InChI=1S/C4H4BrNO2/c5-3-2(6)1-8-4(3)7/h1,6H2
InChIKey
ODTCBTZAILQPHO-UHFFFAOYSA-N
Compound name
3-amino-4-bromo-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.94254 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.949816 127.5
[M+Na]+ 199.931758 140.2
[M-H]- 175.935264 134.5
[M+NH4]+ 194.976363 151.2
[M+K]+ 215.905698 131.1
[M+H-H2O]+ 159.939800 128.0
[M+HCOO]- 221.940741 150.3
[M+CH3COO]- 235.956391 177.1
[M+Na-2H]- 197.917206 134.7
[M]+ 176.94199142 144.9
[M]- 176.94308858 144.9
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.