CID 11019703

62594-18-7

Structural Information

Molecular Formula
C5H5BrO3
SMILES
COC1C(=CC(=O)O1)Br
InChI
InChI=1S/C5H5BrO3/c1-8-5-3(6)2-4(7)9-5/h2,5H,1H3
InChIKey
IXEYLBDMUSTQCD-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.94221 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94949 129.4
[M+Na]+ 214.93143 142.6
[M-H]- 190.93493 136.9
[M+NH4]+ 209.97603 153.3
[M+K]+ 230.90537 134.7
[M+H-H2O]+ 174.93947 130.6
[M+HCOO]- 236.94041 151.9
[M+CH3COO]- 250.95606 178.0
[M+Na-2H]- 212.91688 137.1
[M]+ 191.94166 150.4
[M]- 191.94276 150.4
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.