CID 71306524

1190376-24-9

Structural Information

Molecular Formula
C21H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23BO3/c1-20(2)21(3,4)25-22(24-20)18-12-8-16(9-13-18)6-7-17-10-14-19(23-5)15-11-17/h8-15H,1-5H3
InChIKey
RRYKLXOOBFDYDY-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18128 170.8
[M+Na]+ 357.16322 185.0
[M+NH4]+ 352.20782 177.9
[M+K]+ 373.13716 173.2
[M-H]- 333.16672 170.3
[M+Na-2H]- 355.14867 177.6
[M]+ 334.17345 172.4
[M]- 334.17455 172.4
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

patents stripe