CID 14279

3,4-dibromo-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C4HBr2NO2
SMILES
C1(=C(C(=O)NC1=O)Br)Br
InChI
InChI=1S/C4HBr2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)
InChIKey
BIKSKRPHKQWJCW-UHFFFAOYSA-N
Compound name
3,4-dibromopyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1249
Patents

252.8374 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.84468 128.5
[M+Na]+ 275.82662 141.5
[M-H]- 251.83012 134.0
[M+NH4]+ 270.87122 149.2
[M+K]+ 291.80056 126.1
[M+H-H2O]+ 235.83466 137.0
[M+HCOO]- 297.83560 144.4
[M+CH3COO]- 311.85125 193.2
[M+Na-2H]- 273.81207 134.7
[M]+ 252.83685 161.1
[M]- 252.83795 161.1
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