CID 53198

75229-12-8

Structural Information

Molecular Formula
C16H17Cl2NO3
SMILES
CC(C)N(CC1=CC(=CO1)OC2=CC=C(C=C2)Cl)C(=O)CCl
InChI
InChI=1S/C16H17Cl2NO3/c1-11(2)19(16(20)8-17)9-14-7-15(10-21-14)22-13-5-3-12(18)4-6-13/h3-7,10-11H,8-9H2,1-2H3
InChIKey
KSIOZUAIJNBBRN-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-(4-chlorophenoxy)furan-2-yl]methyl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.05856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06584 176.2
[M+Na]+ 364.04778 188.9
[M+NH4]+ 359.09238 183.8
[M+K]+ 380.02172 184.0
[M-H]- 340.05128 180.8
[M+Na-2H]- 362.03323 182.1
[M]+ 341.05801 179.8
[M]- 341.05911 179.8
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.