CID 132895418

900634-65-3

Structural Information

Molecular Formula
C17H13NO6
SMILES
COC1=CC=C(C=C1)OCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO6/c1-22-11-6-8-12(9-7-11)23-10-15(19)24-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-9H,10H2,1H3
InChIKey
OVFVPNPWBRRLTA-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07428 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08156 170.3
[M+Na]+ 350.06350 179.1
[M-H]- 326.06700 177.3
[M+NH4]+ 345.10810 185.5
[M+K]+ 366.03744 176.7
[M+H-H2O]+ 310.07154 162.2
[M+HCOO]- 372.07248 192.1
[M+CH3COO]- 386.08813 206.7
[M+Na-2H]- 348.04895 172.7
[M]+ 327.07373 176.3
[M]- 327.07483 176.3
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.