CID 23426790

54705-15-6

Structural Information

Molecular Formula
C8H2Br6N2
SMILES
C1(=C(C(=C(N1)Br)Br)Br)C2=C(C(=C(N2)Br)Br)Br
InChI
InChI=1S/C8H2Br6N2/c9-1-3(11)7(13)15-5(1)6-2(10)4(12)8(14)16-6/h15-16H
InChIKey
CKUAYXRLIBAUTH-UHFFFAOYSA-N
Compound name
2,3,4-tribromo-5-(3,4,5-tribromo-1H-pyrrol-2-yl)-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

599.5318 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.53908 179.3
[M+Na]+ 622.52102 189.0
[M-H]- 598.52452 183.1
[M+NH4]+ 617.56562 185.2
[M+K]+ 638.49496 178.7
[M+H-H2O]+ 582.52906 193.3
[M+HCOO]- 644.53000 182.1
[M+CH3COO]- 658.54565 182.1
[M+Na-2H]- 620.50647 177.5
[M]+ 599.53125 200.0
[M]- 599.53235 200.0
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.