CID 208726

32905-65-0

Structural Information

Molecular Formula
C11H20Cl3NO2
SMILES
CC(C)(C)CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C11H20Cl3NO2/c1-9(2,3)6-10(4,5)7(16)15-8(17)11(12,13)14/h8,17H,6H2,1-5H3,(H,15,16)
InChIKey
JBTFGFSQKZIORH-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-N-(2,2,2-trichloro-1-hydroxyethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.05597 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06325 165.3
[M+Na]+ 326.04519 171.5
[M-H]- 302.04869 163.4
[M+NH4]+ 321.08979 181.2
[M+K]+ 342.01913 166.7
[M+H-H2O]+ 286.05323 164.0
[M+HCOO]- 348.05417 166.8
[M+CH3COO]- 362.06982 201.8
[M+Na-2H]- 324.03064 167.7
[M]+ 303.05542 167.7
[M]- 303.05652 167.7
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.