CID 10397754

83124-79-2

Structural Information

Molecular Formula
C7H8Cl2O2
SMILES
C1CC(=COC1)C(=O)C(Cl)Cl
InChI
InChI=1S/C7H8Cl2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h4,7H,1-3H2
InChIKey
HVNJPUJYAXTLIP-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99013 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.997406 135.3
[M+Na]+ 216.979348 142.3
[M-H]- 192.982854 138.4
[M+NH4]+ 212.023953 154.3
[M+K]+ 232.953288 140.1
[M+H-H2O]+ 176.987390 131.6
[M+HCOO]- 238.988331 145.7
[M+CH3COO]- 253.003981 179.5
[M+Na-2H]- 214.964796 139.9
[M]+ 193.98958142 136.1
[M]- 193.99067858 136.1
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

No patent data available for this compound.