CID 24212648

N-(4-butylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C18H18Cl3NO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C18H18Cl3NO2/c1-2-3-4-12-5-7-14(8-6-12)22-17(23)11-24-18-15(20)9-13(19)10-16(18)21/h5-10H,2-4,11H2,1H3,(H,22,23)
InChIKey
HRLRRXMRYMARAX-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0403 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04758 185.3
[M+Na]+ 408.02952 194.1
[M-H]- 384.03302 190.0
[M+NH4]+ 403.07412 198.7
[M+K]+ 424.00346 186.6
[M+H-H2O]+ 368.03756 179.6
[M+HCOO]- 430.03850 193.9
[M+CH3COO]- 444.05415 219.2
[M+Na-2H]- 406.01497 185.2
[M]+ 385.03975 191.9
[M]- 385.04085 191.9
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.