CID 16683104

Bibrokatol

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
1
Annotation Hits

0
References

498
Patents

628.64355 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.650826 167.2
[M+Na]+ 651.632768 173.4
[M-H]- 627.636274 171.7
[M+NH4]+ 646.677373 177.1
[M+K]+ 667.606708 161.9
[M+H-H2O]+ 611.640810 185.0
[M+HCOO]- 673.641751 171.8
[M+CH3COO]- 687.657401 237.3
[M+Na-2H]- 649.618216 168.6
[M]+ 628.64300142 206.4
[M]- 628.64409858 206.4
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.