CID 3058411

75228-94-3

Structural Information

Molecular Formula
C11H15Cl2NO4
SMILES
COCC1=CC=C(O1)CN(CCO)C(=O)C(Cl)Cl
InChI
InChI=1S/C11H15Cl2NO4/c1-17-7-9-3-2-8(18-9)6-14(4-5-15)11(16)10(12)13/h2-3,10,15H,4-7H2,1H3
InChIKey
RKGHPOZGUHYPGJ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-hydroxyethyl)-N-[[5-(methoxymethyl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0378 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04508 164.9
[M+Na]+ 318.02702 171.9
[M-H]- 294.03052 168.5
[M+NH4]+ 313.07162 181.7
[M+K]+ 334.00096 169.7
[M+H-H2O]+ 278.03506 160.4
[M+HCOO]- 340.03600 178.1
[M+CH3COO]- 354.05165 200.8
[M+Na-2H]- 316.01247 165.5
[M]+ 295.03725 172.5
[M]- 295.03835 172.5
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.