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

7
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

literature stripe

Patent stripe

patents stripe