CID 3058409

75228-85-2

Structural Information

Molecular Formula
C9H10Cl3NO2
SMILES
CCN(CC1=CC=C(O1)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C9H10Cl3NO2/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3
InChIKey
FDYZUFQDYVFFFC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97772 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98500 158.2
[M+Na]+ 291.96694 166.4
[M-H]- 267.97044 162.0
[M+NH4]+ 287.01154 176.5
[M+K]+ 307.94088 163.2
[M+H-H2O]+ 251.97498 154.4
[M+HCOO]- 313.97592 167.3
[M+CH3COO]- 327.99157 198.6
[M+Na-2H]- 289.95239 158.8
[M]+ 268.97717 163.8
[M]- 268.97827 163.8
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.