CID 146479586

1993468-83-9

Structural Information

Molecular Formula
C18H13NO4
SMILES
C1CC1(C2=CC=CC=C2)C(=O)ON3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H13NO4/c20-15-13-8-4-5-9-14(13)16(21)19(15)23-17(22)18(10-11-18)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
WYAGOMKRJQNFHA-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

307.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09175 174.4
[M+Na]+ 330.07369 189.4
[M+NH4]+ 325.11829 183.9
[M+K]+ 346.04763 183.6
[M-H]- 306.07719 185.4
[M+Na-2H]- 328.05914 185.0
[M]+ 307.08392 181.0
[M]- 307.08502 181.0
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