CID 103394

65416-31-1

Structural Information

Molecular Formula
C39H57BO3
SMILES
B(OCC(C)CC1=CC=C(C=C1)C(C)C)(OCC(C)CC2=CC=C(C=C2)C(C)C)OCC(C)CC3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C39H57BO3/c1-28(2)37-16-10-34(11-17-37)22-31(7)25-41-40(42-26-32(8)23-35-12-18-38(19-13-35)29(3)4)43-27-33(9)24-36-14-20-39(21-15-36)30(5)6/h10-21,28-33H,22-27H2,1-9H3
InChIKey
CJBABDYWUBZTID-UHFFFAOYSA-N
Compound name
tris[2-methyl-3-(4-propan-2-ylphenyl)propyl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.44006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.44734 253.8
[M+Na]+ 607.42928 264.3
[M+NH4]+ 602.47388 258.5
[M+K]+ 623.40322 256.2
[M-H]- 583.43278 259.0
[M+Na-2H]- 605.41473 258.6
[M]+ 584.43951 256.8
[M]- 584.44061 256.8
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.