CID 315725

Nsc241474

Structural Information

Molecular Formula
C14H8Cl6N2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl6N2O4/c15-7-8(16)13(18)6-5(12(7,17)14(13,19)20)10(25)22(11(6)26)3-1-2-4(23)21-9(3)24/h3,5-6H,1-2H2,(H,21,23,24)
InChIKey
NYISZGIAHBMNSH-UHFFFAOYSA-N
Compound name
1,7,8,9,10,10-hexachloro-4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.8615 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.86878 199.4
[M+Na]+ 500.85072 209.8
[M-H]- 476.85422 196.6
[M+NH4]+ 495.89532 215.6
[M+K]+ 516.82466 204.2
[M+H-H2O]+ 460.85876 197.3
[M+HCOO]- 522.85970 184.2
[M+CH3COO]- 536.87535 204.0
[M+Na-2H]- 498.83617 191.7
[M]+ 477.86095 195.2
[M]- 477.86205 195.2
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.