CID 53192

75228-82-9

Structural Information

Molecular Formula
C8H9Cl2NO2
SMILES
CN(CC1=CC=C(O1)Cl)C(=O)CCl
InChI
InChI=1S/C8H9Cl2NO2/c1-11(8(12)4-9)5-6-2-3-7(10)13-6/h2-3H,4-5H2,1H3
InChIKey
SIRNREWBXLUNAD-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.00104 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00832 146.6
[M+Na]+ 243.99026 155.6
[M-H]- 219.99376 151.7
[M+NH4]+ 239.03486 167.1
[M+K]+ 259.96420 153.4
[M+H-H2O]+ 203.99830 142.3
[M+HCOO]- 265.99924 162.5
[M+CH3COO]- 280.01489 189.6
[M+Na-2H]- 241.97571 150.0
[M]+ 221.00049 152.5
[M]- 221.00159 152.5
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.