CID 21425

Trioctadecyl borate

Structural Information

Molecular Formula
C54H111BO3
SMILES
B(OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H111BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChIKey
GZKLCETYSGSMRA-UHFFFAOYSA-N
Compound name
trioctadecyl borate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

726
Patents

818.8626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.86988 316.6
[M+Na]+ 841.85182 314.9
[M+NH4]+ 836.89642 314.9
[M+K]+ 857.82576 318.1
[M-H]- 817.85532 290.7
[M+Na-2H]- 839.83727 308.1
[M]+ 818.86205 309.7
[M]- 818.86315 309.7
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