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 176.7
[M+Na]+ 357.16322 189.4
[M-H]- 333.16672 185.3
[M+NH4]+ 352.20782 192.2
[M+K]+ 373.13716 182.8
[M+H-H2O]+ 317.17126 164.0
[M+HCOO]- 379.17220 191.5
[M+CH3COO]- 393.18785 187.6
[M+Na-2H]- 355.14867 178.9
[M]+ 334.17345 175.2
[M]- 334.17455 175.2
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