CID 32864

N,n-diethyl-3-hydroxy-4,4,4-trichlorobutyramide

Structural Information

Molecular Formula
C8H14Cl3NO2
SMILES
CCN(CC)C(=O)CC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C8H14Cl3NO2/c1-3-12(4-2)7(14)5-6(13)8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKey
AAXMEZNJEAULFS-UHFFFAOYSA-N
Compound name
4,4,4-trichloro-N,N-diethyl-3-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.009 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01628 152.9
[M+Na]+ 283.99822 159.7
[M-H]- 260.00172 151.9
[M+NH4]+ 279.04282 170.8
[M+K]+ 299.97216 155.9
[M+H-H2O]+ 244.00626 151.1
[M+HCOO]- 306.00720 158.7
[M+CH3COO]- 320.02285 196.3
[M+Na-2H]- 281.98367 154.2
[M]+ 261.00845 156.5
[M]- 261.00955 156.5
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.