CID 3035255

28990-85-4

Structural Information

Molecular Formula
C11H6Cl5NO3
SMILES
C1CC(=O)N[C@@H]1C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H6Cl5NO3/c12-5-6(13)8(15)10(9(16)7(5)14)20-11(19)3-1-2-4(18)17-3/h3H,1-2H2,(H,17,18)/t3-/m0/s1
InChIKey
ZKGMBAZWQLUSMW-VKHMYHEASA-N
Compound name
(2,3,4,5,6-pentachlorophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

374.87903 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.88631 175.8
[M+Na]+ 397.86825 188.4
[M+NH4]+ 392.91285 181.9
[M+K]+ 413.84219 182.7
[M-H]- 373.87175 175.7
[M+Na-2H]- 395.85370 178.9
[M]+ 374.87848 178.6
[M]- 374.87958 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

literature stripe

Patent stripe

patents stripe