CID 17176

Trioctyl borate

Structural Information

Molecular Formula
C24H51BO3
SMILES
B(OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC
InChI
InChI=1S/C24H51BO3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
DTBRTYHFHGNZFX-UHFFFAOYSA-N
Compound name
trioctyl borate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1826
Patents

398.39313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.40041 212.8
[M+Na]+ 421.38235 211.9
[M-H]- 397.38585 209.4
[M+NH4]+ 416.42695 217.5
[M+K]+ 437.35629 208.7
[M+H-H2O]+ 381.39039 204.4
[M+HCOO]- 443.39133 228.9
[M+CH3COO]- 457.40698 229.7
[M+Na-2H]- 419.36780 208.7
[M]+ 398.39258 225.0
[M]- 398.39368 225.0
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