CID 60118

106165-47-3

Structural Information

Molecular Formula
C13H17Cl3N2O2
SMILES
C1=CC(=CC=C1N)OCCCCCNC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C13H17Cl3N2O2/c14-13(15,16)12(19)18-8-2-1-3-9-20-11-6-4-10(17)5-7-11/h4-7H,1-3,8-9,17H2,(H,18,19)
InChIKey
BHZVJEKWQOMFKY-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.03555 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04283 175.2
[M+Na]+ 361.02477 181.7
[M-H]- 337.02827 176.2
[M+NH4]+ 356.06937 189.5
[M+K]+ 376.99871 175.4
[M+H-H2O]+ 321.03281 170.9
[M+HCOO]- 383.03375 183.0
[M+CH3COO]- 397.04940 209.7
[M+Na-2H]- 359.01022 177.1
[M]+ 338.03500 178.6
[M]- 338.03610 178.6
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.