CID 36729

N-(2,2,2-trichloro-1-hydroxyethyl)butyramide

Structural Information

Molecular Formula
C6H10Cl3NO2
SMILES
CCCC(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C6H10Cl3NO2/c1-2-3-4(11)10-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11)
InChIKey
AVFRDELHYNUUQR-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-hydroxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.9777 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.98498 146.9
[M+Na]+ 255.96692 156.2
[M+NH4]+ 251.01152 153.5
[M+K]+ 271.94086 151.6
[M-H]- 231.97042 144.5
[M+Na-2H]- 253.95237 149.2
[M]+ 232.97715 148.0
[M]- 232.97825 148.0
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.