CID 129319374

2-[(e)-2-(furan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CO2
InChI
InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)8-7-10-6-5-9-14-10/h5-9H,1-4H3/b8-7+
InChIKey
BYMFJKPCMNSXKV-BQYQJAHWSA-N
Compound name
2-[(E)-2-(furan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13436 143.6
[M+Na]+ 243.11630 152.8
[M-H]- 219.11980 152.7
[M+NH4]+ 238.16090 165.9
[M+K]+ 259.09024 154.0
[M+H-H2O]+ 203.12434 141.1
[M+HCOO]- 265.12528 165.0
[M+CH3COO]- 279.14093 186.1
[M+Na-2H]- 241.10175 149.8
[M]+ 220.12653 147.9
[M]- 220.12763 147.9
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

No patent data available for this compound.