CID 3608388

N-(2,2,3-trichloro-1-hydroxy-3-phenyl-propyl)-acetamide

Structural Information

Molecular Formula
C11H12Cl3NO2
SMILES
CC(=O)NC(C(C(C1=CC=CC=C1)Cl)(Cl)Cl)O
InChI
InChI=1S/C11H12Cl3NO2/c1-7(16)15-10(17)11(13,14)9(12)8-5-3-2-4-6-8/h2-6,9-10,17H,1H3,(H,15,16)
InChIKey
DORJKYGYXJDYKI-UHFFFAOYSA-N
Compound name
N-(2,2,3-trichloro-1-hydroxy-3-phenylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.99335 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00063 163.2
[M+Na]+ 317.98257 174.2
[M+NH4]+ 313.02717 170.3
[M+K]+ 333.95651 168.6
[M-H]- 293.98607 163.2
[M+Na-2H]- 315.96802 167.9
[M]+ 294.99280 165.4
[M]- 294.99390 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.