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 158.5
[M+Na]+ 317.98257 165.0
[M-H]- 293.98607 159.2
[M+NH4]+ 313.02717 174.1
[M+K]+ 333.95651 159.5
[M+H-H2O]+ 277.99061 155.6
[M+HCOO]- 339.99155 163.5
[M+CH3COO]- 354.00720 198.6
[M+Na-2H]- 315.96802 160.6
[M]+ 294.99280 160.0
[M]- 294.99390 160.0
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.