CID 53193

75228-84-1

Structural Information

Molecular Formula
C9H11Cl2NO2
SMILES
CCN(CC1=CC=C(O1)Cl)C(=O)CCl
InChI
InChI=1S/C9H11Cl2NO2/c1-2-12(9(13)5-10)6-7-3-4-8(11)14-7/h3-4H,2,5-6H2,1H3
InChIKey
REDSKTTUKYFUKS-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.01668 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02396 151.4
[M+Na]+ 258.00590 160.1
[M-H]- 234.00940 156.4
[M+NH4]+ 253.05050 171.3
[M+K]+ 273.97984 157.5
[M+H-H2O]+ 218.01394 146.9
[M+HCOO]- 280.01488 167.0
[M+CH3COO]- 294.03053 192.5
[M+Na-2H]- 255.99135 154.3
[M]+ 235.01613 157.7
[M]- 235.01723 157.7
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.