CID 446555

Sodium (trihydroxy)phenylborate

Structural Information

Molecular Formula
C6H8BO3
SMILES
[B-](C1=CC=CC=C1)(O)(O)O
InChI
InChI=1S/C6H8BO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5,8-10H/q-1
InChIKey
HJLWRZVFPSINGF-UHFFFAOYSA-N
Compound name
trihydroxy(phenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

139.05666 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06394 122.7
[M+Na]+ 162.04588 129.6
[M-H]- 138.04938 120.9
[M+NH4]+ 157.09048 141.6
[M+K]+ 178.01982 127.4
[M+H-H2O]+ 122.05392 120.9
[M+HCOO]- 184.05486 142.0
[M+CH3COO]- 198.07051 159.8
[M+Na-2H]- 160.03133 130.6
[M]+ 139.05611 117.6
[M]- 139.05721 117.6
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