CID 2734807

Trivinylboroxin

Structural Information

Molecular Formula
C6H9B3O3
SMILES
B1(OB(OB(O1)C=C)C=C)C=C
InChI
InChI=1S/C6H9B3O3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h4-6H,1-3H2
InChIKey
WBRSYBLNSTYNPP-UHFFFAOYSA-N
Compound name
2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

782
Patents

162.08308 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09036 130.1
[M+Na]+ 185.07230 137.6
[M-H]- 161.07580 135.4
[M+NH4]+ 180.11690 147.2
[M+K]+ 201.04624 139.1
[M+H-H2O]+ 145.08034 125.2
[M+HCOO]- 207.08128 149.0
[M+CH3COO]- 221.09693 177.0
[M+Na-2H]- 183.05775 137.7
[M]+ 162.08253 130.6
[M]- 162.08363 130.6
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