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]+ 159.04405 130.7
[M+Na]+ 181.02599 143.6
[M-H]- 157.02949 134.5
[M+NH4]+ 176.07059 151.1
[M+K]+ 196.99993 138.8
[M+H-H2O]+ 141.03403 119.9
[M+HCOO]- 203.03497 148.4
[M+CH3COO]- 217.05062 144.1
[M+Na-2H]- 179.01144 136.7
[M]+ 158.03622 126.6
[M]- 158.03732 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.