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]+ 308.091746 171.4
[M+Na]+ 330.073688 182.0
[M-H]- 306.077194 181.6
[M+NH4]+ 325.118293 184.4
[M+K]+ 346.047628 177.5
[M+H-H2O]+ 290.081730 164.2
[M+HCOO]- 352.082671 192.3
[M+CH3COO]- 366.098321 183.2
[M+Na-2H]- 328.059136 174.6
[M]+ 307.08392142 175.9
[M]- 307.08501858 175.9
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