CID 5754803

324069-34-3

Structural Information

Molecular Formula
C15H17Cl3N2O
SMILES
C1CCN(C1)C(C(Cl)(Cl)Cl)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H17Cl3N2O/c16-15(17,18)14(20-10-4-5-11-20)19-13(21)9-8-12-6-2-1-3-7-12/h1-3,6-9,14H,4-5,10-11H2,(H,19,21)/b9-8+
InChIKey
HBZRRWIUPLJFGH-CMDGGOBGSA-N
Compound name
(E)-3-phenyl-N-(2,2,2-trichloro-1-pyrrolidin-1-ylethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.04065 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04793 181.4
[M+Na]+ 369.02987 186.2
[M-H]- 345.03337 183.7
[M+NH4]+ 364.07447 195.4
[M+K]+ 385.00381 179.1
[M+H-H2O]+ 329.03791 174.6
[M+HCOO]- 391.03885 184.8
[M+CH3COO]- 405.05450 206.4
[M+Na-2H]- 367.01532 180.5
[M]+ 346.04010 180.1
[M]- 346.04120 180.1
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.