CID 139461

Trihydroxy boroxine

Structural Information

Molecular Formula

B₃H₃O₆

SMILES

B1(OB(OB(O1)O)O)O

InChI

InChI=1S/B3H3O6/c4-1-7-2(5)9-3(6)8-1/h4-6H

InChIKey

AIUDKCYIGXXGIL-UHFFFAOYSA-N

Compound name

2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 132.02087 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	133.02815	117.0
[M+Na]+	155.01009	124.4
[M-H]-	131.01359	118.9
[M+NH4]+	150.05469	133.0
[M+K]+	170.98403	127.8
[M+H-H2O]+	115.01813	112.4
[M+HCOO]-	177.01907	133.3
[M+CH3COO]-	191.03472	160.7
[M+Na-2H]-	152.99554	126.2
[M]+	132.02032	116.3
[M]-	132.02142	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe