CID 17177

Tris(2-ethylhexyl) borate

Structural Information

Molecular Formula
C24H51BO3
SMILES
B(OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC
InChI
InChI=1S/C24H51BO3/c1-7-13-16-22(10-4)19-26-25(27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKey
DLVYHYUFIXLWKV-UHFFFAOYSA-N
Compound name
tris(2-ethylhexyl) borate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

632
Patents

398.39313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.40041 209.0
[M+Na]+ 421.38235 213.9
[M+NH4]+ 416.42695 224.1
[M+K]+ 437.35629 207.5
[M-H]- 397.38585 206.4
[M+Na-2H]- 419.36780 206.5
[M]+ 398.39258 208.6
[M]- 398.39368 208.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe