CID 52398

Tri(diisobutylcarbinyl) borate

Structural Information

Molecular Formula
C27H57BO3
SMILES
B(OC(C(C)CC)C(C)CC)(OC(C(C)CC)C(C)CC)OC(C(C)CC)C(C)CC
InChI
InChI=1S/C27H57BO3/c1-13-19(7)25(20(8)14-2)29-28(30-26(21(9)15-3)22(10)16-4)31-27(23(11)17-5)24(12)18-6/h19-27H,13-18H2,1-12H3
InChIKey
DALDOQDZVZPDLY-UHFFFAOYSA-N
Compound name
tris(3,5-dimethylheptan-4-yl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

440.44006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.44734 217.7
[M+Na]+ 463.42928 236.6
[M+NH4]+ 458.47388 242.6
[M+K]+ 479.40322 234.9
[M-H]- 439.43278 229.8
[M+Na-2H]- 461.41473 212.7
[M]+ 440.43951 234.6
[M]- 440.44061 234.6
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