CID 15134

Fertilysin

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

368
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

literature stripe

Patent stripe

patents stripe