CID 162628

Tri(2-ethylhexanoyl)borate

Structural Information

Molecular Formula
C24H45BO6
SMILES
B(OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/C24H45BO6/c1-7-13-16-19(10-4)22(26)29-25(30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3
InChIKey
NREHJWUDMQQZAP-UHFFFAOYSA-N
Compound name
bis(2-ethylhexanoyloxy)boranyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

440.33093 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.33821 216.4
[M+Na]+ 463.32015 225.9
[M-H]- 439.32365 214.4
[M+NH4]+ 458.36475 228.4
[M+K]+ 479.29409 224.5
[M+H-H2O]+ 423.32819 221.6
[M+HCOO]- 485.32913 215.9
[M+CH3COO]- 499.34478 235.7
[M+Na-2H]- 461.30560 208.5
[M]+ 440.33038 218.4
[M]- 440.33148 218.4
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