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

57
Patents

440.44006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.44734 221.6
[M+Na]+ 463.42928 231.7
[M-H]- 439.43278 218.6
[M+NH4]+ 458.47388 235.0
[M+K]+ 479.40322 235.0
[M+H-H2O]+ 423.43732 227.6
[M+HCOO]- 485.43826 210.5
[M+CH3COO]- 499.45391 245.6
[M+Na-2H]- 461.41473 214.5
[M]+ 440.43951 224.2
[M]- 440.44061 224.2
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