CID 77051

4-(4-methoxyphenyl)furan-2(5h)-one

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=CC=C(C=C1)C2=CC(=O)OC2
InChI
InChI=1S/C11H10O3/c1-13-10-4-2-8(3-5-10)9-6-11(12)14-7-9/h2-6H,7H2,1H3
InChIKey
HQVKPLUNUVUKBI-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 136.7
[M+Na]+ 213.052208 145.7
[M-H]- 189.055714 144.7
[M+NH4]+ 208.096813 157.0
[M+K]+ 229.026148 145.0
[M+H-H2O]+ 173.060250 131.0
[M+HCOO]- 235.061191 161.5
[M+CH3COO]- 249.076841 180.7
[M+Na-2H]- 211.037656 142.6
[M]+ 190.06244142 139.2
[M]- 190.06353858 139.2
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