CID 165947234

6-ethynyl-1,3-dihydro-2-benzofuran-1-one

Structural Information

Molecular Formula
C10H6O2
SMILES
C#CC1=CC2=C(COC2=O)C=C1
InChI
InChI=1S/C10H6O2/c1-2-7-3-4-8-6-12-10(11)9(8)5-7/h1,3-5H,6H2
InChIKey
YMBNLDMZUDARSM-UHFFFAOYSA-N
Compound name
6-ethynyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.03677 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.044046 130.7
[M+Na]+ 181.025988 143.6
[M-H]- 157.029494 134.5
[M+NH4]+ 176.070593 151.1
[M+K]+ 196.999928 138.8
[M+H-H2O]+ 141.034030 119.9
[M+HCOO]- 203.034971 148.4
[M+CH3COO]- 217.050621 144.1
[M+Na-2H]- 179.011436 136.7
[M]+ 158.03622142 126.6
[M]- 158.03731858 126.6
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.