CID 3525007

1027757-13-6

Structural Information

Molecular Formula
C19H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-9-13-17(16)21-14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3
InChIKey
OYMQYMSYMNEKLI-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

310.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18128 170.5
[M+Na]+ 333.16322 178.9
[M-H]- 309.16672 182.1
[M+NH4]+ 328.20782 188.5
[M+K]+ 349.13716 178.0
[M+H-H2O]+ 293.17126 163.7
[M+HCOO]- 355.17220 191.2
[M+CH3COO]- 369.18785 204.7
[M+Na-2H]- 331.14867 175.2
[M]+ 310.17345 174.5
[M]- 310.17455 174.5
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