CID 3414974

303105-16-0

Structural Information

Molecular Formula
C12H15Cl3N2O2
SMILES
C1CCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2
InChI
InChI=1S/C12H15Cl3N2O2/c13-12(14,15)11(17-6-2-1-3-7-17)16-10(18)9-5-4-8-19-9/h4-5,8,11H,1-3,6-7H2,(H,16,18)
InChIKey
AKTIPKNJZLNYPM-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-piperidin-1-ylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0199 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02718 172.6
[M+Na]+ 347.00912 177.2
[M-H]- 323.01262 175.7
[M+NH4]+ 342.05372 186.1
[M+K]+ 362.98306 173.1
[M+H-H2O]+ 307.01716 166.4
[M+HCOO]- 369.01810 174.7
[M+CH3COO]- 383.03375 201.7
[M+Na-2H]- 344.99457 173.3
[M]+ 324.01935 171.5
[M]- 324.02045 171.5
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.