CID 577918

N-(1-anilino-2,2,2-trichloroethyl)decanamide

Structural Information

Molecular Formula
C18H27Cl3N2O
SMILES
CCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1
InChI
InChI=1S/C18H27Cl3N2O/c1-2-3-4-5-6-7-11-14-16(24)23-17(18(19,20)21)22-15-12-9-8-10-13-15/h8-10,12-13,17,22H,2-7,11,14H2,1H3,(H,23,24)
InChIKey
AKUFSAACBJSLTM-UHFFFAOYSA-N
Compound name
N-(1-anilino-2,2,2-trichloroethyl)decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1189 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12618 194.5
[M+Na]+ 415.10812 197.9
[M-H]- 391.11162 194.8
[M+NH4]+ 410.15272 206.7
[M+K]+ 431.08206 190.5
[M+H-H2O]+ 375.11616 189.1
[M+HCOO]- 437.11710 200.1
[M+CH3COO]- 451.13275 222.1
[M+Na-2H]- 413.09357 194.3
[M]+ 392.11835 198.5
[M]- 392.11945 198.5
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.