CID 5460515

Perborate(2-)

Structural Information

Molecular Formula
B2H4O8
SMILES
[B-]1(OO[B-](OO1)(O)O)(O)O
InChI
InChI=1S/B2H4O8/c3-1(4)7-9-2(5,6)10-8-1/h3-6H/q-2
InChIKey
PNIJRIIGBGFYHF-UHFFFAOYSA-N
Compound name
3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40847
Patents

154.00923 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01651 118.6
[M+Na]+ 176.99845 125.1
[M-H]- 153.00195 116.9
[M+NH4]+ 172.04305 133.6
[M+K]+ 192.97239 129.7
[M+H-H2O]+ 137.00649 120.2
[M+HCOO]- 199.00743 131.4
[M+CH3COO]- 213.02308 154.2
[M+Na-2H]- 174.98390 130.5
[M]+ 154.00868 115.3
[M]- 154.00978 115.3
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

patents stripe