CID 477695

4-chloro-n-(2,6-dimethylphenyl)phthalimide

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO2/c1-9-4-3-5-10(2)14(9)18-15(19)12-7-6-11(17)8-13(12)16(18)20/h3-8H,1-2H3
InChIKey
ILWHHOSXTXSZSE-UHFFFAOYSA-N
Compound name
5-chloro-2-(2,6-dimethylphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.05566 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 163.0
[M+Na]+ 308.04488 175.8
[M-H]- 284.04838 170.5
[M+NH4]+ 303.08948 182.0
[M+K]+ 324.01882 169.2
[M+H-H2O]+ 268.05292 156.5
[M+HCOO]- 330.05386 180.6
[M+CH3COO]- 344.06951 176.5
[M+Na-2H]- 306.03033 164.5
[M]+ 285.05511 167.3
[M]- 285.05621 167.3
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

No patent data available for this compound.