CID 11120674

5-acetamido-1,1,1-trichloroundecane

Structural Information

Molecular Formula
C13H24Cl3NO
SMILES
CCCCCCC(CCCC(Cl)(Cl)Cl)NC(=O)C
InChI
InChI=1S/C13H24Cl3NO/c1-3-4-5-6-8-12(17-11(2)18)9-7-10-13(14,15)16/h12H,3-10H2,1-2H3,(H,17,18)
InChIKey
PMBAZTIKQVXAJA-UHFFFAOYSA-N
Compound name
N-(1,1,1-trichloroundecan-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.09235 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09963 174.7
[M+Na]+ 338.08157 179.8
[M-H]- 314.08507 172.6
[M+NH4]+ 333.12617 190.6
[M+K]+ 354.05551 173.7
[M+H-H2O]+ 298.08961 171.7
[M+HCOO]- 360.09055 179.5
[M+CH3COO]- 374.10620 207.8
[M+Na-2H]- 336.06702 174.3
[M]+ 315.09180 179.2
[M]- 315.09290 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.