CID 5222390

730-77-8

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
COC1(C2=CC=CC=C2C(=O)N1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18)
InChIKey
UDOFLZXMYNIXSO-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.05566 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 158.7
[M+Na]+ 296.04488 174.0
[M+NH4]+ 291.08948 169.3
[M+K]+ 312.01882 165.5
[M-H]- 272.04838 162.5
[M+Na-2H]- 294.03033 167.7
[M]+ 273.05511 162.5
[M]- 273.05621 162.5
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

patents stripe