CID 67458226

2-[4-(fluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CF
InChI
InChI=1S/C13H18BFO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
InChIKey
OFYNCXMIUNHOFP-UHFFFAOYSA-N
Compound name
2-[4-(fluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

236.13838 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14566 147.1
[M+Na]+ 259.12760 156.8
[M-H]- 235.13110 154.7
[M+NH4]+ 254.17220 168.8
[M+K]+ 275.10154 156.6
[M+H-H2O]+ 219.13564 142.0
[M+HCOO]- 281.13658 167.2
[M+CH3COO]- 295.15223 191.6
[M+Na-2H]- 257.11305 152.9
[M]+ 236.13783 149.2
[M]- 236.13893 149.2
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