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 185.3
[M+Na]+ 371.27279 190.2
[M-H]- 347.27629 188.7
[M+NH4]+ 366.31739 199.7
[M+K]+ 387.24673 189.9
[M+H-H2O]+ 331.28083 179.6
[M+HCOO]- 393.28177 200.3
[M+CH3COO]- 407.29742 221.4
[M+Na-2H]- 369.25824 183.6
[M]+ 348.28302 192.6
[M]- 348.28412 192.6
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

patents stripe