CID 16683104

Bibrocathol

Structural Information

Molecular Formula
C6BiBr4O2
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)O[Bi]O2
InChI
InChI=1S/C6H2Br4O2.Bi/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h11-12H;/q;+2/p-2
InChIKey
JESHOVYCNDEUKU-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

336
Patents

628.64355 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.65083 168.9
[M+Na]+ 651.63277 163.8
[M+NH4]+ 646.67737 169.7
[M+K]+ 667.60671 169.8
[M-H]- 627.63627 170.9
[M+Na-2H]- 649.61822 169.3
[M]+ 628.64300 169.2
[M]- 628.64410 169.2
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.