CID 18033

Brn 2567225

Structural Information

Molecular Formula
C21H37BO3
SMILES
B(OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C21H37BO3/c1-14(2)23-22(24-15(3)4)25-19-17(20(6,7)8)12-16(5)13-18(19)21(9,10)11/h12-15H,1-11H3
InChIKey
DUVZAERRPMFJPA-UHFFFAOYSA-N
Compound name
(2,6-ditert-butyl-4-methylphenyl) dipropan-2-yl borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.28357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.29085 187.9
[M+Na]+ 371.27279 197.3
[M+NH4]+ 366.31739 193.5
[M+K]+ 387.24673 193.6
[M-H]- 347.27629 187.6
[M+Na-2H]- 369.25824 190.4
[M]+ 348.28302 189.3
[M]- 348.28412 189.3
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