CID 3700433

2-(2-methylphenoxy)-n-(2,2,2-trichloro-1-hydroxyethyl)acetamide

Structural Information

Molecular Formula
C11H12Cl3NO3
SMILES
CC1=CC=CC=C1OCC(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C11H12Cl3NO3/c1-7-4-2-3-5-8(7)18-6-9(16)15-10(17)11(12,13)14/h2-5,10,17H,6H2,1H3,(H,15,16)
InChIKey
CKFPJCRECASFRG-UHFFFAOYSA-N
Compound name
2-(2-methylphenoxy)-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.98828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.99556 161.6
[M+Na]+ 333.97750 169.1
[M-H]- 309.98100 162.6
[M+NH4]+ 329.02210 176.9
[M+K]+ 349.95144 163.9
[M+H-H2O]+ 293.98554 158.6
[M+HCOO]- 355.98648 167.7
[M+CH3COO]- 370.00213 200.2
[M+Na-2H]- 331.96295 164.2
[M]+ 310.98773 165.2
[M]- 310.98883 165.2
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.