CID 58239

101264-04-4

Structural Information

Molecular Formula
C13H18Cl2N2O2
SMILES
C1=CC(=CC=C1N)OCCCCCNC(=O)C(Cl)Cl
InChI
InChI=1S/C13H18Cl2N2O2/c14-12(15)13(18)17-8-2-1-3-9-19-11-6-4-10(16)5-7-11/h4-7,12H,1-3,8-9,16H2,(H,17,18)
InChIKey
CMXVDRAADGZQKF-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07452 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.081796 168.6
[M+Na]+ 327.063738 174.4
[M-H]- 303.067244 170.4
[M+NH4]+ 322.108343 184.0
[M+K]+ 343.037678 169.0
[M+H-H2O]+ 287.071780 163.3
[M+HCOO]- 349.072721 182.4
[M+CH3COO]- 363.088371 206.0
[M+Na-2H]- 325.049186 169.7
[M]+ 304.07397142 171.9
[M]- 304.07506858 171.9
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.