CID 3018665

3,3-dichloro-5-phenyloxolan-2-one

Structural Information

Molecular Formula
C10H8Cl2O2
SMILES
C1C(OC(=O)C1(Cl)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H8Cl2O2/c11-10(12)6-8(14-9(10)13)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
DHPZQCISEMBVQN-UHFFFAOYSA-N
Compound name
3,3-dichloro-5-phenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.997406 144.7
[M+Na]+ 252.979348 155.2
[M-H]- 228.982854 151.8
[M+NH4]+ 248.023953 166.4
[M+K]+ 268.953288 150.9
[M+H-H2O]+ 212.987390 140.9
[M+HCOO]- 274.988331 158.3
[M+CH3COO]- 289.003981 158.6
[M+Na-2H]- 250.964796 149.7
[M]+ 229.98958142 147.1
[M]- 229.99067858 147.1
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

patents stripe