CID 5708413

83947-56-2

Structural Information

Molecular Formula
C14H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKey
ARAINKADEARZLZ-ZHACJKMWSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

206
Patents

230.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15509 150.4
[M+Na]+ 253.13703 163.2
[M+NH4]+ 248.18163 161.8
[M+K]+ 269.11097 154.8
[M-H]- 229.14053 156.6
[M+Na-2H]- 251.12248 159.1
[M]+ 230.14726 154.4
[M]- 230.14836 154.4
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