CID 21581

Tris(2-cyclohexylcyclohexyl) borate

Structural Information

Molecular Formula
C36H63BO3
SMILES
B(OC1CCCCC1C2CCCCC2)(OC3CCCCC3C4CCCCC4)OC5CCCCC5C6CCCCC6
InChI
InChI=1S/C36H63BO3/c1-4-16-28(17-5-1)31-22-10-13-25-34(31)38-37(39-35-26-14-11-23-32(35)29-18-6-2-7-19-29)40-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h28-36H,1-27H2
InChIKey
SFCBPVBDIBWEJM-UHFFFAOYSA-N
Compound name
tris(2-cyclohexylcyclohexyl) borate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

554.487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.49428 240.3
[M+Na]+ 577.47622 225.3
[M-H]- 553.47972 248.5
[M+NH4]+ 572.52082 240.0
[M+K]+ 593.45016 220.6
[M+H-H2O]+ 537.48426 224.8
[M+HCOO]- 599.48520 234.8
[M+CH3COO]- 613.50085 237.0
[M+Na-2H]- 575.46167 223.9
[M]+ 554.48645 214.7
[M]- 554.48755 214.7
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