CID 71306555

3-(cyclohexylmethyl)phenylboronic acid pinacol ester

Structural Information

Molecular Formula
C19H29BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3CCCCC3
InChI
InChI=1S/C19H29BO2/c1-18(2)19(3,4)22-20(21-18)17-12-8-11-16(14-17)13-15-9-6-5-7-10-15/h8,11-12,14-15H,5-7,9-10,13H2,1-4H3
InChIKey
UHYFCYWROJPQGL-UHFFFAOYSA-N
Compound name
2-[3-(cyclohexylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23335 171.2
[M+Na]+ 323.21529 176.6
[M-H]- 299.21879 181.5
[M+NH4]+ 318.25989 189.5
[M+K]+ 339.18923 175.5
[M+H-H2O]+ 283.22333 164.7
[M+HCOO]- 345.22427 187.3
[M+CH3COO]- 359.23992 203.7
[M+Na-2H]- 321.20074 172.9
[M]+ 300.22552 169.4
[M]- 300.22662 169.4
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.