CID 3774653

2-chloro-n-[2-(2,4-dichlorophenyl)pentyl]acetamide

Structural Information

Molecular Formula
C13H16Cl3NO
SMILES
CCCC(CNC(=O)CCl)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H16Cl3NO/c1-2-3-9(8-17-13(18)7-14)11-5-4-10(15)6-12(11)16/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)
InChIKey
POJIBDPGGAVRCY-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(2,4-dichlorophenyl)pentyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.02975 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03703 166.2
[M+Na]+ 330.01897 173.9
[M-H]- 306.02247 167.8
[M+NH4]+ 325.06357 182.5
[M+K]+ 345.99291 167.3
[M+H-H2O]+ 290.02701 162.4
[M+HCOO]- 352.02795 173.9
[M+CH3COO]- 366.04360 205.8
[M+Na-2H]- 328.00442 166.4
[M]+ 307.02920 170.3
[M]- 307.03030 170.3
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.