CID 11100

Furoin

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=COC(=C1)C(C(=O)C2=CC=CO2)O
InChI
InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKey
MIJRFWVFNKQQDK-UHFFFAOYSA-N
Compound name
1,2-bis(furan-2-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1164
Patents

192.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 137.3
[M+Na]+ 215.03147 148.5
[M+NH4]+ 210.07607 144.6
[M+K]+ 231.00541 148.8
[M-H]- 191.03497 141.3
[M+Na-2H]- 213.01692 142.9
[M]+ 192.04170 139.8
[M]- 192.04280 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe