CID 11075401

243145-83-7

Structural Information

Molecular Formula
C13H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)F
InChI
InChI=1S/C13H18BFO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKey
RLTRQJNDILQGNA-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
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

literature stripe

Patent stripe

patents stripe