CID 67527524

Dtxsid4099904

Structural Information

Molecular Formula
C54H87BO3
SMILES
B(OC1=CC=C(C=C1)CCCCCCCCCCCC)(OC2=CC=C(C=C2)CCCCCCCCCCCC)OC3=CC=C(C=C3)CCCCCCCCCCCC
InChI
InChI=1S/C54H87BO3/c1-4-7-10-13-16-19-22-25-28-31-34-49-37-43-52(44-38-49)56-55(57-53-45-39-50(40-46-53)35-32-29-26-23-20-17-14-11-8-5-2)58-54-47-41-51(42-48-54)36-33-30-27-24-21-18-15-12-9-6-3/h37-48H,4-36H2,1-3H3
InChIKey
KRELSYMDPSHCEC-UHFFFAOYSA-N
Compound name
tris(4-dodecylphenyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

794.6748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.68208 324.7
[M+Na]+ 817.66402 333.9
[M+NH4]+ 812.70862 289.1
[M+K]+ 833.63796 317.2
[M-H]- 793.66752 330.1
[M+Na-2H]- 815.64947 326.8
[M]+ 794.67425 327.6
[M]- 794.67535 327.6
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

No patent data available for this compound.