CID 2734616

Bis(hexylene glycolato)diboron

Structural Information

Molecular Formula
C12H24B2O4
SMILES
B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C
InChI
InChI=1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
InChIKey
UEBSWKNVDRJVHN-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

337
Patents

254.18607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.193346 155.7
[M+Na]+ 277.175288 162.3
[M-H]- 253.178794 164.8
[M+NH4]+ 272.219893 172.0
[M+K]+ 293.149228 166.7
[M+H-H2O]+ 237.183330 150.9
[M+HCOO]- 299.184271 168.6
[M+CH3COO]- 313.199921 196.5
[M+Na-2H]- 275.160736 161.9
[M]+ 254.18552142 157.0
[M]- 254.18661858 157.0
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