CID 3118259

N-{1-[3-(acetylamino)phenoxy]-2,2,2-trichloroethyl}butanamide

Structural Information

Molecular Formula
C14H17Cl3N2O3
SMILES
CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC(=C1)NC(=O)C
InChI
InChI=1S/C14H17Cl3N2O3/c1-3-5-12(21)19-13(14(15,16)17)22-11-7-4-6-10(8-11)18-9(2)20/h4,6-8,13H,3,5H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
MJEGRIVXRBEQTM-UHFFFAOYSA-N
Compound name
N-[1-(3-acetamidophenoxy)-2,2,2-trichloroethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0305 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03778 179.0
[M+Na]+ 389.01972 185.0
[M-H]- 365.02322 181.0
[M+NH4]+ 384.06432 192.5
[M+K]+ 404.99366 179.9
[M+H-H2O]+ 349.02776 175.1
[M+HCOO]- 411.02870 186.0
[M+CH3COO]- 425.04435 215.3
[M+Na-2H]- 387.00517 179.8
[M]+ 366.02995 183.7
[M]- 366.03105 183.7
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.