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

literature stripe

Patent stripe

patents stripe