CID 351870

3-bromo-1-phenyl-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H6BrNO2
SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C2=O)Br
InChI
InChI=1S/C10H6BrNO2/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7/h1-6H
InChIKey
XPWBLMOTTABVDZ-UHFFFAOYSA-N
Compound name
3-bromo-1-phenylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

250.95819 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96547 143.8
[M+Na]+ 273.94741 157.3
[M-H]- 249.95091 152.7
[M+NH4]+ 268.99201 165.4
[M+K]+ 289.92135 146.2
[M+H-H2O]+ 233.95545 143.7
[M+HCOO]- 295.95639 166.0
[M+CH3COO]- 309.97204 188.7
[M+Na-2H]- 271.93286 149.5
[M]+ 250.95764 162.7
[M]- 250.95874 162.7
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