CID 86723

5-(4-chlorophenyl)tetrahydrofuran-2(3h)-one

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C1CC(=O)OC1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)9-5-6-10(12)13-9/h1-4,9H,5-6H2
InChIKey
MDOWPKVKTIICSH-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

196.02911 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 138.9
[M+Na]+ 219.018328 148.2
[M-H]- 195.021834 146.4
[M+NH4]+ 214.062933 159.7
[M+K]+ 234.992268 145.3
[M+H-H2O]+ 179.026370 134.0
[M+HCOO]- 241.027311 157.6
[M+CH3COO]- 255.042961 179.8
[M+Na-2H]- 217.003776 143.6
[M]+ 196.02856142 140.1
[M]- 196.02965858 140.1
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