CID 50899958

2,3,5,7-tetrabromobenzofuro[3,2-b]pyrrole

Structural Information

Molecular Formula
C10H3Br4NO
SMILES
C1=C(C=C(C2=C1C3=C(O2)C(=C(N3)Br)Br)Br)Br
InChI
InChI=1S/C10H3Br4NO/c11-3-1-4-7-9(6(13)10(14)15-7)16-8(4)5(12)2-3/h1-2,15H
InChIKey
ICCCQEGUOIWMQK-UHFFFAOYSA-N
Compound name
2,3,5,7-tetrabromo-1H-[1]benzofuro[3,2-b]pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6
Patents

468.69482 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.70210 154.3
[M+Na]+ 491.68404 162.1
[M-H]- 467.68754 159.2
[M+NH4]+ 486.72864 165.4
[M+K]+ 507.65798 151.1
[M+H-H2O]+ 451.69208 173.2
[M+HCOO]- 513.69302 160.7
[M+CH3COO]- 527.70867 162.6
[M+Na-2H]- 489.66949 157.1
[M]+ 468.69427 194.2
[M]- 468.69537 194.2
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.