CID 641129

2,2,2-trichloro-1-(3,4-dihydro-2h-pyran-5-yl)ethanone

Structural Information

Molecular Formula
C7H7Cl3O2
SMILES
C1CC(=COC1)C(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H7Cl3O2/c8-7(9,10)6(11)5-2-1-3-12-4-5/h4H,1-3H2
InChIKey
PWNGCQDVIQOYBS-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.95116 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95844 141.7
[M+Na]+ 250.94038 149.4
[M-H]- 226.94388 144.0
[M+NH4]+ 245.98498 159.5
[M+K]+ 266.91432 146.1
[M+H-H2O]+ 210.94842 138.9
[M+HCOO]- 272.94936 146.2
[M+CH3COO]- 286.96501 184.0
[M+Na-2H]- 248.92583 147.1
[M]+ 227.95061 142.6
[M]- 227.95171 142.6
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

patents stripe