CID 21573

5434-83-3

Structural Information

Molecular Formula
C36H45BO3
SMILES
B(OC1CCCCC1C2=CC=CC=C2)(OC3CCCCC3C4=CC=CC=C4)OC5CCCCC5C6=CC=CC=C6
InChI
InChI=1S/C36H45BO3/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/h1-9,16-21,31-36H,10-15,22-27H2
InChIKey
GHMDTEDTNDZHTB-UHFFFAOYSA-N
Compound name
tris(2-phenylcyclohexyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

536.3462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.353476 233.4
[M+Na]+ 559.335418 227.1
[M-H]- 535.338924 245.5
[M+NH4]+ 554.380023 234.5
[M+K]+ 575.309358 221.0
[M+H-H2O]+ 519.343460 217.4
[M+HCOO]- 581.344401 240.4
[M+CH3COO]- 595.360051 234.9
[M+Na-2H]- 557.320866 225.8
[M]+ 536.34565142 219.9
[M]- 536.34674858 219.9
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