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 171.4
[M+Na]+ 330.07369 182.0
[M-H]- 306.07719 181.6
[M+NH4]+ 325.11829 184.4
[M+K]+ 346.04763 177.5
[M+H-H2O]+ 290.08173 164.2
[M+HCOO]- 352.08267 192.3
[M+CH3COO]- 366.09832 183.2
[M+Na-2H]- 328.05914 174.6
[M]+ 307.08392 175.9
[M]- 307.08502 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.