CID 792579

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl benzoate

Structural Information

Molecular Formula
C15H9NO4
SMILES
C1=CC=C(C=C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H9NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h1-9H
InChIKey
PSXVVEFTUBMHJR-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

267.05316 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 156.2
[M+Na]+ 290.04238 165.6
[M-H]- 266.04588 163.2
[M+NH4]+ 285.08698 173.9
[M+K]+ 306.01632 162.1
[M+H-H2O]+ 250.05042 148.6
[M+HCOO]- 312.05136 178.5
[M+CH3COO]- 326.06701 195.1
[M+Na-2H]- 288.02783 160.0
[M]+ 267.05261 158.3
[M]- 267.05371 158.3
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

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