CID 3056362

Tris(dicyclohexylmethyl) borate

Structural Information

Molecular Formula
C39H69BO3
SMILES
B(OC(C1CCCCC1)C2CCCCC2)(OC(C3CCCCC3)C4CCCCC4)OC(C5CCCCC5)C6CCCCC6
InChI
InChI=1S/C39H69BO3/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)41-40(42-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34)43-39(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h31-39H,1-30H2
InChIKey
HTUHQDKWJDVNOK-UHFFFAOYSA-N
Compound name
tris(dicyclohexylmethyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

596.534 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.54128 257.7
[M+Na]+ 619.52322 260.1
[M+NH4]+ 614.56782 264.8
[M+K]+ 635.49716 251.8
[M-H]- 595.52672 267.4
[M+Na-2H]- 617.50867 259.8
[M]+ 596.53345 260.2
[M]- 596.53455 260.2
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