CID 32712

24848-81-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

398.39313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.40041 215.1
[M+Na]+ 421.38235 213.6
[M-H]- 397.38585 212.0
[M+NH4]+ 416.42695 220.6
[M+K]+ 437.35629 211.9
[M+H-H2O]+ 381.39039 207.1
[M+HCOO]- 443.39133 220.4
[M+CH3COO]- 457.40698 232.0
[M+Na-2H]- 419.36780 207.2
[M]+ 398.39258 225.3
[M]- 398.39368 225.3
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