CID 16683000

2,7-dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid

Structural Information

Molecular Formula
C7H4BiO5
SMILES
C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O
InChI
InChI=1S/C7H6O5.Bi/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+2/p-2
InChIKey
NSAPKWCAASCLFN-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

69637
Patents

376.98627 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.99355 170.1
[M+Na]+ 399.97549 177.5
[M-H]- 375.97899 172.4
[M+NH4]+ 395.02009 186.8
[M+K]+ 415.94943 176.9
[M+H-H2O]+ 359.98353 163.9
[M+HCOO]- 421.98447 187.3
[M+CH3COO]- 436.00012 182.0
[M+Na-2H]- 397.96094 173.1
[M]+ 376.98572 172.0
[M]- 376.98682 172.0
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.