CID 15134

1477-57-2

Structural Information

Molecular Formula
C12H20Cl4N2O2
SMILES
C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl
InChI
InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
InChIKey
FAOMZVDZARKPFJ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[8-[(2,2-dichloroacetyl)amino]octyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

45
References

445
Patents

364.0279 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03518 180.3
[M+Na]+ 387.01712 184.0
[M-H]- 363.02062 177.0
[M+NH4]+ 382.06172 193.2
[M+K]+ 402.99106 178.3
[M+H-H2O]+ 347.02516 177.9
[M+HCOO]- 409.02610 181.4
[M+CH3COO]- 423.04175 216.9
[M+Na-2H]- 385.00257 176.7
[M]+ 364.02735 183.1
[M]- 364.02845 183.1
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.