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 179.3
[M+Na]+ 364.04778 186.9
[M-H]- 340.05128 187.4
[M+NH4]+ 359.09238 194.9
[M+K]+ 380.02172 183.6
[M+H-H2O]+ 324.05582 173.1
[M+HCOO]- 386.05676 193.5
[M+CH3COO]- 400.07241 212.7
[M+Na-2H]- 362.03323 179.1
[M]+ 341.05801 187.5
[M]- 341.05911 187.5
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.