CID 897568

519169-56-3

Structural Information

Molecular Formula
C15H10BrNO2
SMILES
CC1=C(C=CC(=C1)Br)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10BrNO2/c1-9-8-10(16)6-7-13(9)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3
InChIKey
UXOWCYKOWZBSCI-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-methylphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.9895 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99678 163.4
[M+Na]+ 337.97872 177.5
[M-H]- 313.98222 173.2
[M+NH4]+ 333.02332 183.7
[M+K]+ 353.95266 165.2
[M+H-H2O]+ 297.98676 162.9
[M+HCOO]- 359.98770 183.6
[M+CH3COO]- 374.00335 178.4
[M+Na-2H]- 335.96417 167.6
[M]+ 314.98895 183.4
[M]- 314.99005 183.4
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

No patent data available for this compound.