CID 516845

Tetraboric acid

Structural Information

Molecular Formula
B4H2O7
SMILES
B1(OB2OB(OB(O1)O2)O)O
InChI
InChI=1S/B4H2O7/c5-1-7-3-9-2(6)10-4(8-1)11-3/h5-6H
InChIKey
XDVOLDOITVSJGL-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15592
Patents

158.01727 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02455 120.2
[M+Na]+ 181.00649 127.7
[M-H]- 157.00999 124.1
[M+NH4]+ 176.05109 134.7
[M+K]+ 196.98043 133.6
[M+H-H2O]+ 141.01453 115.9
[M+HCOO]- 203.01547 132.8
[M+CH3COO]- 217.03112 169.4
[M+Na-2H]- 178.99194 133.3
[M]+ 158.01672 122.7
[M]- 158.01782 122.7
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