CID 360351

Nsc622409

Structural Information

Molecular Formula
C14H15Cl2NO2
SMILES
C1C2CC3CC1CC(C2)C3N4C(=O)C(=C(C4=O)Cl)Cl
InChI
InChI=1S/C14H15Cl2NO2/c15-10-11(16)14(19)17(13(10)18)12-8-2-6-1-7(4-8)5-9(12)3-6/h6-9,12H,1-5H2
InChIKey
MVJNUMRSOKWMHH-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-3,4-dichloropyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.04797 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05525 167.4
[M+Na]+ 322.03719 174.0
[M-H]- 298.04069 164.8
[M+NH4]+ 317.08179 189.9
[M+K]+ 338.01113 168.0
[M+H-H2O]+ 282.04523 163.0
[M+HCOO]- 344.04617 165.3
[M+CH3COO]- 358.06182 175.8
[M+Na-2H]- 320.02264 170.7
[M]+ 299.04742 170.9
[M]- 299.04852 170.9
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.