CID 65945967

Methyl 2-(3-bromofuran-2-yl)-2-hydroxyacetate

Structural Information

Molecular Formula
C7H7BrO4
SMILES
COC(=O)C(C1=C(C=CO1)Br)O
InChI
InChI=1S/C7H7BrO4/c1-11-7(10)5(9)6-4(8)2-3-12-6/h2-3,5,9H,1H3
InChIKey
SVQVQPVHJYSUQE-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromofuran-2-yl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95277 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96005 142.7
[M+Na]+ 256.94199 154.1
[M-H]- 232.94549 148.7
[M+NH4]+ 251.98659 163.9
[M+K]+ 272.91593 145.9
[M+H-H2O]+ 216.95003 143.2
[M+HCOO]- 278.95097 162.7
[M+CH3COO]- 292.96662 182.7
[M+Na-2H]- 254.92744 147.9
[M]+ 233.95222 163.6
[M]- 233.95332 163.6
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.