CID 93991

58230-69-6

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
CC1=C(C=CC(=C1)N)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O2/c1-8-6-10(17)3-5-13(8)18-14(19)11-4-2-9(16)7-12(11)15(18)20/h2-7H,17H2,1H3
InChIKey
LIVAQMJLPOCEMO-UHFFFAOYSA-N
Compound name
2-(4-amino-2-methylphenyl)-5-chloroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

286.0509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 163.9
[M+Na]+ 309.04012 176.3
[M-H]- 285.04362 171.0
[M+NH4]+ 304.08472 182.3
[M+K]+ 325.01406 169.5
[M+H-H2O]+ 269.04816 157.4
[M+HCOO]- 331.04910 182.3
[M+CH3COO]- 345.06475 177.0
[M+Na-2H]- 307.02557 165.4
[M]+ 286.05035 166.3
[M]- 286.05145 166.3
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

patents stripe