CID 506530

2-methyl-4-phenyl-2h-furan-5-one

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1C=C(C(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C11H10O2/c1-8-7-10(11(12)13-8)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
GVGXBYFGDYETKS-UHFFFAOYSA-N
Compound name
2-methyl-4-phenyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

174.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.5
[M+Na]+ 197.05730 142.7
[M-H]- 173.06080 141.6
[M+NH4]+ 192.10190 154.5
[M+K]+ 213.03124 141.4
[M+H-H2O]+ 157.06534 128.0
[M+HCOO]- 219.06628 158.1
[M+CH3COO]- 233.08193 178.7
[M+Na-2H]- 195.04275 139.4
[M]+ 174.06753 134.6
[M]- 174.06863 134.6
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.