CID 3047563

Triphenylcyclohexyl borate

Structural Information

Molecular Formula
C36H45BO3
SMILES
B(OC1(CCCCC1)C2=CC=CC=C2)(OC3(CCCCC3)C4=CC=CC=C4)OC5(CCCCC5)C6=CC=CC=C6
InChI
InChI=1S/C36H45BO3/c1-7-19-31(20-8-1)34(25-13-4-14-26-34)38-37(39-35(27-15-5-16-28-35)32-21-9-2-10-22-32)40-36(29-17-6-18-30-36)33-23-11-3-12-24-33/h1-3,7-12,19-24H,4-6,13-18,25-30H2
InChIKey
IJLIAQJSDJYXTP-UHFFFAOYSA-N
Compound name
tris(1-phenylcyclohexyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

536.3462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.35348 241.6
[M+Na]+ 559.33542 254.1
[M+NH4]+ 554.38002 254.1
[M+K]+ 575.30936 237.1
[M-H]- 535.33892 253.7
[M+Na-2H]- 557.32087 256.3
[M]+ 536.34565 247.5
[M]- 536.34675 247.5
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