CID 59207619

914675-52-8

Structural Information

Molecular Formula
C18H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKey
WCXWQEUBHZKNMQ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-phenylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

280.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17073 162.5
[M+Na]+ 303.15267 171.5
[M-H]- 279.15617 174.3
[M+NH4]+ 298.19727 181.8
[M+K]+ 319.12661 170.1
[M+H-H2O]+ 263.16071 156.1
[M+HCOO]- 325.16165 183.4
[M+CH3COO]- 339.17730 176.0
[M+Na-2H]- 301.13812 167.6
[M]+ 280.16290 164.7
[M]- 280.16400 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe