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 245.7
[M+Na]+ 619.52322 225.8
[M-H]- 595.52672 251.8
[M+NH4]+ 614.56782 242.5
[M+K]+ 635.49716 222.3
[M+H-H2O]+ 579.53126 230.4
[M+HCOO]- 641.53220 236.4
[M+CH3COO]- 655.54785 240.0
[M+Na-2H]- 617.50867 227.2
[M]+ 596.53345 218.3
[M]- 596.53455 218.3
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