CID 46433

64037-69-0

Structural Information

Molecular Formula
C9H16Cl3NO2
SMILES
CCC(C(C)C)C(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C9H16Cl3NO2/c1-4-6(5(2)3)7(14)13-8(15)9(10,11)12/h5-6,8,15H,4H2,1-3H3,(H,13,14)
InChIKey
QUMOGDHLKCDWQZ-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.02466 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03194 156.0
[M+Na]+ 298.01388 161.9
[M-H]- 274.01738 153.8
[M+NH4]+ 293.05848 172.7
[M+K]+ 313.98782 157.5
[M+H-H2O]+ 258.02192 154.7
[M+HCOO]- 320.02286 159.4
[M+CH3COO]- 334.03851 197.5
[M+Na-2H]- 295.99933 155.4
[M]+ 275.02411 157.8
[M]- 275.02521 157.8
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.