CID 89239536

Schembl14059287

Structural Information

Molecular Formula
C30H63BO3
SMILES
B(OCC(CCC)CCCCC)(OCC(CCC)CCCCC)OCC(CCC)CCCCC
InChI
InChI=1S/C30H63BO3/c1-7-13-16-22-28(19-10-4)25-32-31(33-26-29(20-11-5)23-17-14-8-2)34-27-30(21-12-6)24-18-15-9-3/h28-30H,7-27H2,1-6H3
InChIKey
KLVQOHKMYYWSHD-UHFFFAOYSA-N
Compound name
tris(2-propylheptyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

482.48703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.49431 238.4
[M+Na]+ 505.47625 245.2
[M-H]- 481.47975 225.3
[M+NH4]+ 500.52085 242.3
[M+K]+ 521.45019 246.2
[M+H-H2O]+ 465.48429 240.5
[M+HCOO]- 527.48523 239.8
[M+CH3COO]- 541.50088 249.1
[M+Na-2H]- 503.46170 225.4
[M]+ 482.48648 240.0
[M]- 482.48758 240.0
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

No patent data available for this compound.