CID 131239164

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

Structural Information

Molecular Formula
C14H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C14H17BF2O2/c1-13(2)14(3,4)19-15(18-13)8-7-10-5-6-11(16)12(17)9-10/h5-9H,1-4H3/b8-7+
InChIKey
FKVUIKJCALEDPM-BQYQJAHWSA-N
Compound name
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13625 152.9
[M+Na]+ 289.11819 163.5
[M-H]- 265.12169 159.3
[M+NH4]+ 284.16279 173.5
[M+K]+ 305.09213 162.0
[M+H-H2O]+ 249.12623 147.1
[M+HCOO]- 311.12717 171.8
[M+CH3COO]- 325.14282 197.0
[M+Na-2H]- 287.10364 156.9
[M]+ 266.12842 153.8
[M]- 266.12952 153.8
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