CID 94776

2464-33-7

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
InChIKey
KPYGHQALDAITMY-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

237.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.9
[M+Na]+ 260.06820 161.6
[M-H]- 236.07170 158.2
[M+NH4]+ 255.11280 170.5
[M+K]+ 276.04214 156.9
[M+H-H2O]+ 220.07624 143.7
[M+HCOO]- 282.07718 173.6
[M+CH3COO]- 296.09283 164.7
[M+Na-2H]- 258.05365 155.0
[M]+ 237.07843 152.0
[M]- 237.07953 152.0
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