CID 44118844

2,6-dihydroxybenzeneboronic acid

Structural Information

Molecular Formula
C6H7BO4
SMILES
B(C1=C(C=CC=C1O)O)(O)O
InChI
InChI=1S/C6H7BO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-11H
InChIKey
ACIZIJMWGZWBDP-UHFFFAOYSA-N
Compound name
(2,6-dihydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

154.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05101 127.1
[M+Na]+ 177.03295 135.1
[M-H]- 153.03645 126.2
[M+NH4]+ 172.07755 145.7
[M+K]+ 193.00689 132.9
[M+H-H2O]+ 137.04099 122.7
[M+HCOO]- 199.04193 146.2
[M+CH3COO]- 213.05758 166.0
[M+Na-2H]- 175.01840 131.9
[M]+ 154.04318 124.7
[M]- 154.04428 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe