CID 9816194

Pentaborate

Structural Information

Molecular Formula
B5H4O10
SMILES
B1(OB(O[B-]2(O1)OB(OB(O2)O)O)O)O
InChI
InChI=1S/B5H4O10/c6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h6-9H/q-1
InChIKey
GTZAZEAHZZCTRB-UHFFFAOYSA-N
Compound name
2,4,8,10-tetrahydroxy-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-6-boranuidaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

219.02698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03426 134.9
[M+Na]+ 242.01620 140.8
[M-H]- 218.01970 138.0
[M+NH4]+ 237.06080 143.9
[M+K]+ 257.99014 147.3
[M+H-H2O]+ 202.02424 132.4
[M+HCOO]- 264.02518 143.3
[M+CH3COO]- 278.04083 172.0
[M+Na-2H]- 240.00165 145.7
[M]+ 219.02643 133.9
[M]- 219.02753 133.9
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.