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]+ 286.062936 163.0
[M+Na]+ 308.044878 175.8
[M-H]- 284.048384 170.5
[M+NH4]+ 303.089483 182.0
[M+K]+ 324.018818 169.2
[M+H-H2O]+ 268.052920 156.5
[M+HCOO]- 330.053861 180.6
[M+CH3COO]- 344.069511 176.5
[M+Na-2H]- 306.030326 164.5
[M]+ 285.05511142 167.3
[M]- 285.05620858 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.