CID 9796502

Schembl5343477

Structural Information

Molecular Formula
C13H9BrN2O2
SMILES
CN1C(=O)C(=C(C1=O)Br)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H9BrN2O2/c1-16-12(17)10(11(14)13(16)18)8-6-15-9-5-3-2-4-7(8)9/h2-6,15H,1H3
InChIKey
YTEMHRLSCMRDFN-UHFFFAOYSA-N
Compound name
3-bromo-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

303.98474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99202 160.3
[M+Na]+ 326.97396 175.7
[M-H]- 302.97746 168.5
[M+NH4]+ 322.01856 181.1
[M+K]+ 342.94790 163.2
[M+H-H2O]+ 286.98200 160.3
[M+HCOO]- 348.98294 180.8
[M+CH3COO]- 362.99859 175.5
[M+Na-2H]- 324.95941 163.4
[M]+ 303.98419 180.6
[M]- 303.98529 180.6
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.