CID 14909780

2-chloro-1-(5-chlorofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C6H4Cl2O2
SMILES
C1=C(OC(=C1)Cl)C(=O)CCl
InChI
InChI=1S/C6H4Cl2O2/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKey
LYOMNBLEGDSONB-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-chlorofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.95883 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.966106 131.2
[M+Na]+ 200.948048 141.8
[M-H]- 176.951554 135.3
[M+NH4]+ 195.992653 153.1
[M+K]+ 216.921988 138.9
[M+H-H2O]+ 160.956090 128.0
[M+HCOO]- 222.957031 146.3
[M+CH3COO]- 236.972681 176.2
[M+Na-2H]- 198.933496 136.4
[M]+ 177.95828142 135.9
[M]- 177.95937858 135.9
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