CID 36729

34243-51-1

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 144.9
[M+Na]+ 255.96692 152.3
[M-H]- 231.97042 142.7
[M+NH4]+ 251.01152 163.2
[M+K]+ 271.94086 147.7
[M+H-H2O]+ 215.97496 143.6
[M+HCOO]- 277.97590 150.8
[M+CH3COO]- 291.99155 187.2
[M+Na-2H]- 253.95237 147.8
[M]+ 232.97715 146.4
[M]- 232.97825 146.4
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.