CID 161114

1h-isoindole-1,3(2h)-dione, 2-[(4-methylphenyl)thio]-

Structural Information

Molecular Formula
C15H11NO2S
SMILES
CC1=CC=C(C=C1)SN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO2S/c1-10-6-8-11(9-7-10)19-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKey
JQDALPOOQVVODE-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfanylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

269.05106 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05834 159.6
[M+Na]+ 292.04028 174.3
[M+NH4]+ 287.08488 168.9
[M+K]+ 308.01422 166.1
[M-H]- 268.04378 163.9
[M+Na-2H]- 290.02573 166.5
[M]+ 269.05051 163.5
[M]- 269.05161 163.5
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