CID 477702

N-(1-adamantyl)-4-chlorophthalimide

Structural Information

Molecular Formula
C18H18ClNO2
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)Cl
InChI
InChI=1S/C18H18ClNO2/c19-13-1-2-14-15(6-13)17(22)20(16(14)21)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2
InChIKey
DGJGEOLRIODCTI-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-chloroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.1026 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10988 168.7
[M+Na]+ 338.09182 174.1
[M-H]- 314.09532 167.0
[M+NH4]+ 333.13642 192.1
[M+K]+ 354.06576 167.2
[M+H-H2O]+ 298.09986 160.6
[M+HCOO]- 360.10080 169.4
[M+CH3COO]- 374.11645 176.6
[M+Na-2H]- 336.07727 174.4
[M]+ 315.10205 170.7
[M]- 315.10315 170.7
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

No patent data available for this compound.