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 159.6
[M+Na]+ 296.04488 170.5
[M-H]- 272.04838 165.2
[M+NH4]+ 291.08948 179.7
[M+K]+ 312.01882 163.9
[M+H-H2O]+ 256.05292 153.1
[M+HCOO]- 318.05386 176.1
[M+CH3COO]- 332.06951 172.2
[M+Na-2H]- 294.03033 164.4
[M]+ 273.05511 161.6
[M]- 273.05621 161.6
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