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

520
Patents

628.64355 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.65083 167.2
[M+Na]+ 651.63277 173.4
[M-H]- 627.63627 171.7
[M+NH4]+ 646.67737 177.1
[M+K]+ 667.60671 161.9
[M+H-H2O]+ 611.64081 185.0
[M+HCOO]- 673.64175 171.8
[M+CH3COO]- 687.65740 237.3
[M+Na-2H]- 649.61822 168.6
[M]+ 628.64300 206.4
[M]- 628.64410 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.