CID 250687

2-(4-methoxy-phenyl)-isoindole-1,3-dione

Structural Information

Molecular Formula
C15H11NO3
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKey
ZETLVSOYHDFNPZ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

17
Patents

253.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 154.0
[M+Na]+ 276.06312 164.5
[M-H]- 252.06662 161.2
[M+NH4]+ 271.10772 172.8
[M+K]+ 292.03706 160.4
[M+H-H2O]+ 236.07116 146.6
[M+HCOO]- 298.07210 176.9
[M+CH3COO]- 312.08775 194.7
[M+Na-2H]- 274.04857 158.1
[M]+ 253.07335 156.5
[M]- 253.07445 156.5
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