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]+ 177.94982 127.5
[M+Na]+ 199.93176 140.2
[M-H]- 175.93526 134.5
[M+NH4]+ 194.97636 151.2
[M+K]+ 215.90570 131.1
[M+H-H2O]+ 159.93980 128.0
[M+HCOO]- 221.94074 150.3
[M+CH3COO]- 235.95639 177.1
[M+Na-2H]- 197.91721 134.7
[M]+ 176.94199 144.9
[M]- 176.94309 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.