CID 3053199

69579-74-4

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CO2)O
InChI
InChI=1S/C11H8O3/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h1-7,12H
InChIKey
RAFAVNTVTXJMAQ-UHFFFAOYSA-N
Compound name
(3-hydroxyfuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

188.04735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 136.8
[M+Na]+ 211.036568 145.1
[M-H]- 187.040074 143.5
[M+NH4]+ 206.081173 156.0
[M+K]+ 227.010508 143.7
[M+H-H2O]+ 171.044610 131.0
[M+HCOO]- 233.045551 160.5
[M+CH3COO]- 247.061201 177.6
[M+Na-2H]- 209.022016 142.6
[M]+ 188.04680142 137.8
[M]- 188.04789858 137.8
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

patents stripe