CID 292409

Trihexadecyl borate

Structural Information

Molecular Formula
C48H99BO3
SMILES
B(OCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C48H99BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50-49(51-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChIKey
WZGVRXXJKGXOBR-UHFFFAOYSA-N
Compound name
trihexadecyl borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

553
Patents

734.76874 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.77602 301.7
[M+Na]+ 757.75796 303.8
[M-H]- 733.76146 276.9
[M+NH4]+ 752.80256 300.3
[M+K]+ 773.73190 310.6
[M+H-H2O]+ 717.76600 299.9
[M+HCOO]- 779.76694 303.3
[M+CH3COO]- 793.78259 295.9
[M+Na-2H]- 755.74341 279.0
[M]+ 734.76819 302.1
[M]- 734.76929 302.1
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